data_Mn5Nb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.34
_cell_length_b   7.34
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn5Nb3
_chemical_formula_sum   'Mn10 Nb6'
_cell_volume   237.18
_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  0.23  0.34  0.27  1.0
  Mn  Mn1  1  0.1  0.02  0.81  1.0
  Mn  Mn2  1  0.55  0.0  0.27  1.0
  Mn  Mn3  1  0.77  0.34  0.81  1.0
  Mn  Mn4  1  0.0  0.24  0.0  1.0
  Mn  Mn5  1  0.0  0.24  0.54  1.0
  Mn  Mn6  1  0.67  0.12  0.0  1.0
  Mn  Mn7  1  0.67  0.12  0.54  1.0
  Mn  Mn8  1  0.79  0.0  0.81  1.0
  Mn  Mn9  1  0.9  0.02  0.27  1.0
  Nb  Nb10  1  0.54  0.52  0.81  1.0
  Nb  Nb11  1  0.79  0.83  0.27  1.0
  Nb  Nb12  1  0.92  0.0  0.81  1.0
  Nb  Nb13  1  0.46  0.52  0.27  1.0
  Nb  Nb14  1  0.42  0.0  0.27  1.0
  Nb  Nb15  1  0.21  0.83  0.81  1.0

data_Mn5Nb3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.08
_cell_length_b   7.34
_cell_length_c   7.34
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn5Nb3
_chemical_formula_sum   'Mn10 Nb6'
_cell_volume   237.18
_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  0.0  0.24  1.0
  Mn  Mn1  1  -0.0  0.67  0.12  1.0
  Mn  Mn2  1  0.27  0.23  0.34  1.0
  Mn  Mn3  1  0.27  0.55  0.0  1.0
  Mn  Mn4  1  0.27  0.9  0.02  1.0
  Mn  Mn5  1  0.54  0.0  0.24  1.0
  Mn  Mn6  1  0.54  0.67  0.12  1.0
  Mn  Mn7  1  0.81  0.1  0.02  1.0
  Mn  Mn8  1  0.81  0.77  0.34  1.0
  Mn  Mn9  1  0.81  0.79  0.0  1.0
  Nb  Nb10  1  0.27  0.42  0.0  1.0
  Nb  Nb11  1  0.27  0.46  0.52  1.0
  Nb  Nb12  1  0.27  0.79  0.83  1.0
  Nb  Nb13  1  0.81  0.21  0.83  1.0
  Nb  Nb14  1  0.81  0.54  0.52  1.0
  Nb  Nb15  1  0.81  0.92  0.0  1.0

Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Nb Nb Nb Nb Nb Nb
Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Nb Nb Nb Nb Nb Nb 0 13 o o o 0 4 o o o 0 5 o o o 0 10 o o - 1 12 - o o 1 15 o - o 2 14 o o o 2 6 o o o 2 7 o o o 3 7 o o o 3 6 o o + 3 10 o o o 4 8 - o - 4 6 - o o 4 12 - o - 4 9 - o o 4 5 o o - 5 8 - o o 5 7 - o o 5 9 - o o 5 12 - o o 6 8 o o - 7 14 o o o 7 8 o o o 8 12 o o o 8 10 o - o 9 11 o - o 10 13 o o o 10 13 o o + 10 12 o + o 10 11 o o + 