data_Mn3TeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   9.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3TeO8
_chemical_formula_sum   'Mn6 Te2 O16'
_cell_volume   288.96
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Mn  Mn0  1  0.51  0.87  0.6  1.0
  Mn  Mn1  1  0.47  0.87  0.6  1.0
  Mn  Mn2  1  0.99  0.44  0.6  1.0
  Mn  Mn3  1  0.0  0.74  0.94  1.0
  Mn  Mn4  1  0.52  0.31  0.94  1.0
  Mn  Mn5  1  0.48  0.31  0.94  1.0
  Te  Te6  1  0.99  0.73  0.17  1.0
  Te  Te7  1  0.0  0.46  0.52  1.0
  O  O8  1  0.57  0.91  0.9  1.0
  O  O9  1  0.99  0.21  0.9  1.0
  O  O10  1  0.99  0.73  0.73  1.0
  O  O11  1  0.0  0.0  0.43  1.0
  O  O12  1  0.0  0.0  0.77  1.0
  O  O13  1  0.42  0.91  0.9  1.0
  O  O14  1  0.68  0.49  0.9  1.0
  O  O15  1  0.31  0.49  0.9  1.0
  O  O16  1  0.0  0.81  0.56  1.0
  O  O17  1  0.99  0.37  0.9  1.0
  O  O18  1  0.69  0.7  0.24  1.0
  O  O19  1  0.31  0.7  0.24  1.0
  O  O20  1  0.0  0.46  0.07  1.0
  O  O21  1  0.58  0.28  0.56  1.0
  O  O22  1  0.0  0.97  0.24  1.0
  O  O23  1  0.42  0.28  0.56  1.0

data_Mn3TeO8
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   9.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3TeO8
_chemical_formula_sum   'Mn6 Te2 O16'
_cell_volume   288.96
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Mn  Mn0  1  0.0  0.74  0.94  1.0
  Mn  Mn1  1  0.47  0.87  0.6  1.0
  Mn  Mn2  1  0.48  0.31  0.94  1.0
  Mn  Mn3  1  0.51  0.87  0.6  1.0
  Mn  Mn4  1  0.52  0.31  0.94  1.0
  Mn  Mn5  1  0.99  0.44  0.6  1.0
  Te  Te6  1  0.0  0.46  0.52  1.0
  Te  Te7  1  0.99  0.73  0.17  1.0
  O  O8  1  0.0  0.0  0.43  1.0
  O  O9  1  0.0  0.0  0.77  1.0
  O  O10  1  0.0  0.46  0.07  1.0
  O  O11  1  0.0  0.81  0.56  1.0
  O  O12  1  0.0  0.97  0.24  1.0
  O  O13  1  0.31  0.49  0.9  1.0
  O  O14  1  0.31  0.7  0.24  1.0
  O  O15  1  0.42  0.91  0.9  1.0
  O  O16  1  0.42  0.28  0.56  1.0
  O  O17  1  0.57  0.91  0.9  1.0
  O  O18  1  0.58  0.28  0.56  1.0
  O  O19  1  0.68  0.49  0.9  1.0
  O  O20  1  0.69  0.7  0.24  1.0
  O  O21  1  0.99  0.21  0.9  1.0
  O  O22  1  0.99  0.37  0.9  1.0
  O  O23  1  0.99  0.73  0.73  1.0

Mn Mn Mn Mn Mn Mn Te Te O O O O O O O O O O O O O O O O
Mn Mn Mn Mn Mn Mn Te Te O O O O O O O O O O O O O O O O 0 1 o o o 2 7 + o o 3 14 - o o 3 12 o + o 3 17 - o o 3 10 - o o 3 20 o o + 3 6 - o + 3 13 o o o 4 5 o o o 4 14 o o o 4 15 o o o 5 14 o o o 5 15 o o o 6 18 o o o 6 22 + o o 6 20 + o o 6 19 + o o 8 13 o o o 9 17 o o o 9 12 + o o 9 15 + o o 10 16 + o o 10 12 + + o 11 22 o - o 11 16 o - o 15 17 - o o 17 20 + o + 18 22 + o o 18 19 o o o 19 20 o o o 21 23 o o o 
Mn3TeO8 crystallizes in the triclinic P1 space group. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a single-bond geometry to one Mn(2) and one O(14) atom. The Mn(1)-Mn(2) bond length is 0.22 Å. The Mn(1)-O(14) bond length is 2.29 Å. In the second Mn site, Mn(2) is bonded in a 1-coordinate geometry to one Mn(1), one O(14), and one O(9) atom. The Mn(2)-O(14) bond length is 2.22 Å. The Mn(2)-O(9) bond length is 2.71 Å. In the third Mn site, Mn(3) is bonded in a distorted single-bond geometry to one Te(2), one O(14), one O(3), and one O(9) atom. The Mn(3)-Te(2) bond length is 0.78 Å. The Mn(3)-O(14) bond length is 2.21 Å. The Mn(3)-O(3) bond length is 2.10 Å. The Mn(3)-O(9) bond length is 2.25 Å. In the fourth Mn site, Mn(4) is bonded in a 7-coordinate geometry to one Te(1), one O(10), one O(13), one O(3), one O(5), one O(6), and one O(7) atom. The Mn(4)-Te(1) bond length is 2.14 Å. The Mn(4)-O(10) bond length is 2.25 Å. The Mn(4)-O(13) bond length is 2.10 Å. The Mn(4)-O(3) bond length is 2.01 Å. The Mn(4)-O(5) bond length is 2.22 Å. The Mn(4)-O(6) bond length is 2.21 Å. The Mn(4)-O(7) bond length is 1.81 Å. In the fifth Mn site, Mn(5) is bonded in a 2-coordinate geometry to one Mn(6), one O(6), and one O(7) atom. The Mn(5)-Mn(6) bond length is 0.22 Å. The Mn(5)-O(6) bond length is 2.22 Å. The Mn(5)-O(7) bond length is 1.09 Å. In the sixth Mn site, Mn(6) is bonded in a distorted bent 150 degrees geometry to one Mn(5) and one O(8) atom. The Mn(6)-O(8) bond length is 1.86 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 5-coordinate geometry to one Mn(4), one O(11), one O(12), one O(13), and one O(15) atom. The Te(1)-O(11) bond length is 1.87 Å. The Te(1)-O(12) bond length is 2.13 Å. The Te(1)-O(13) bond length is 1.90 Å. The Te(1)-O(15) bond length is 1.59 Å. In the second Te site, Te(2) is bonded in a single-bond geometry to one Mn(3), one O(14), and one O(9) atom. The Te(2)-O(14) bond length is 2.24 Å. The Te(2)-O(9) bond length is 2.17 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one O(6) atom. The O(1)-O(6) bond length is 0.92 Å. In the second O site, O(2) is bonded in a distorted single-bond geometry to one O(10) and one O(5) atom. The O(2)-O(10) bond length is 0.97 Å. The O(2)-O(5) bond length is 1.76 Å. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Mn(3), one Mn(4), one O(5), and one O(9) atom. The O(3)-O(5) bond length is 1.66 Å. The O(3)-O(9) bond length is 1.65 Å. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one O(15) and one O(9) atom. The O(4)-O(15) bond length is 1.72 Å. The O(4)-O(9) bond length is 1.66 Å. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mn(4), one O(2), and one O(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mn(4), one Mn(5), and one O(1) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Mn(4) and one Mn(5) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Mn(6) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Mn(2), one Mn(3), one Te(2), one O(3), and one O(4) atom. In the tenth O site, O(10) is bonded in a 1-coordinate geometry to one Mn(4), one O(13), and one O(2) atom. The O(10)-O(13) bond length is 1.65 Å. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Te(1) atom. In the twelfth O site, O(12) is bonded in a single-bond geometry to one Te(1) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Mn(4), one Te(1), and one O(10) atom. In the fourteenth O site, O(14) is bonded in a 5-coordinate geometry to one Mn(1), one Mn(2), one Mn(3), one Te(2), and one O(16) atom. The O(14)-O(16) bond length is 0.92 Å. In the fifteenth O site, O(15) is bonded in a single-bond geometry to one Te(1) and one O(4) atom. In the sixteenth O site, O(16) is bonded in a single-bond geometry to one O(14) atom.