data_Mn9SiP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.01
_cell_length_b   7.01
_cell_length_c   6.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn9SiP3
_chemical_formula_sum   'Mn18 Si2 P6'
_cell_volume   288.71
_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  0.28  0.31  0.09  1.0
  Mn  Mn1  1  0.0  0.53  0.09  1.0
  Mn  Mn2  1  0.72  0.31  0.09  1.0
  Mn  Mn3  1  0.22  0.76  0.7  1.0
  Mn  Mn4  1  0.5  0.54  0.7  1.0
  Mn  Mn5  1  0.79  0.76  0.7  1.0
  Mn  Mn6  1  0.71  0.79  0.89  1.0
  Mn  Mn7  1  0.0  0.56  0.89  1.0
  Mn  Mn8  1  0.29  0.79  0.89  1.0
  Mn  Mn9  1  0.79  0.28  0.29  1.0
  Mn  Mn10  1  0.5  0.51  0.29  1.0
  Mn  Mn11  1  0.22  0.28  0.29  1.0
  Mn  Mn12  1  0.5  0.51  0.9  1.0
  Mn  Mn13  1  0.79  0.28  0.9  1.0
  Mn  Mn14  1  0.22  0.28  0.9  1.0
  Mn  Mn15  1  0.0  0.56  0.5  1.0
  Mn  Mn16  1  0.71  0.79  0.5  1.0
  Mn  Mn17  1  0.29  0.79  0.5  1.0
  Si  Si24  1  0.0  0.0  0.39  1.0
  Si  Si25  1  0.0  0.0  0.0  1.0
  P  P18  1  0.9  0.26  0.09  1.0
  P  P19  1  0.0  0.62  0.09  1.0
  P  P20  1  0.1  0.26  0.09  1.0
  P  P21  1  0.6  0.81  0.7  1.0
  P  P22  1  0.5  0.45  0.7  1.0
  P  P23  1  0.41  0.81  0.7  1.0

data_Mn9SiP3
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.79
_cell_length_b   7.01
_cell_length_c   7.01
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn9SiP3
_chemical_formula_sum   'Mn18 Si2 P6'
_cell_volume   288.71
_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  0.09  0.0  0.53  1.0
  Mn  Mn1  1  0.09  0.28  0.31  1.0
  Mn  Mn2  1  0.09  0.72  0.31  1.0
  Mn  Mn3  1  0.29  0.22  0.28  1.0
  Mn  Mn4  1  0.29  0.5  0.51  1.0
  Mn  Mn5  1  0.29  0.79  0.28  1.0
  Mn  Mn6  1  0.5  0.0  0.56  1.0
  Mn  Mn7  1  0.5  0.29  0.79  1.0
  Mn  Mn8  1  0.5  0.71  0.79  1.0
  Mn  Mn9  1  0.7  0.22  0.76  1.0
  Mn  Mn10  1  0.7  0.5  0.54  1.0
  Mn  Mn11  1  0.7  0.79  0.76  1.0
  Mn  Mn12  1  0.89  0.0  0.56  1.0
  Mn  Mn13  1  0.89  0.29  0.79  1.0
  Mn  Mn14  1  0.89  0.71  0.79  1.0
  Mn  Mn15  1  0.9  0.22  0.28  1.0
  Mn  Mn16  1  0.9  0.5  0.51  1.0
  Mn  Mn17  1  0.9  0.79  0.28  1.0
  Si  Si18  1  0.0  0.0  0.0  1.0
  Si  Si19  1  0.39  0.0  0.0  1.0
  P  P20  1  0.09  0.0  0.62  1.0
  P  P21  1  0.09  0.1  0.26  1.0
  P  P22  1  0.09  0.9  0.26  1.0
  P  P23  1  0.7  0.41  0.81  1.0
  P  P24  1  0.7  0.5  0.45  1.0
  P  P25  1  0.7  0.6  0.81  1.0

Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Si Si P P P P P P
Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Si Si P P P P P P 0 14 o o - 0 22 o o o 0 11 o o o 0 10 o o o 0 19 o o o 1 21 o o o 1 7 o o - 1 20 - o o 2 13 o o - 2 20 o o o 2 9 o o o 3 17 o o o 3 25 o o o 3 8 o o o 3 15 o o o 4 24 o o o 4 12 o o o 4 23 o o o 5 16 o o o 5 23 o o o 5 6 o o o 6 12 o o o 6 23 o o o 6 19 + + + 7 21 o o + 7 13 - o o 8 25 o o o 9 20 o o o 10 11 o o o 11 22 o o o 11 18 o o o 12 24 o o o 13 20 o o + 14 22 o o + 14 19 o o + 15 17 o o o 16 23 o o o 16 18 + + o 17 25 o o o 19 22 o o o 20 22 + o o 23 25 o o o 