data_Bi5Mo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.51
_cell_length_b   6.51
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   98.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi5Mo3
_chemical_formula_sum   'Bi5 Mo3'
_cell_volume   202.89
_cell_formula_units_Z   1
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
  Bi  Bi0  1  0.26  0.0  0.0  1.0
  Bi  Bi1  1  0.13  0.54  0.0  1.0
  Bi  Bi2  1  0.13  0.46  0.0  1.0
  Bi  Bi3  1  0.69  0.0  0.42  1.0
  Bi  Bi4  1  0.83  0.0  0.42  1.0
  Mo  Mo5  1  0.0  0.0  0.0  1.0
  Mo  Mo6  1  0.26  0.59  0.42  1.0
  Mo  Mo7  1  0.26  0.41  0.42  1.0

data_Bi5Mo3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.84
_cell_length_b   6.51
_cell_length_c   6.51
_cell_angle_alpha   98.11
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi5Mo3
_chemical_formula_sum   'Bi5 Mo3'
_cell_volume   202.89
_cell_formula_units_Z   1
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
  Bi  Bi0  1  -0.0  0.13  0.46  1.0
  Bi  Bi1  1  -0.0  0.13  0.54  1.0
  Bi  Bi2  1  0.0  0.26  0.0  1.0
  Bi  Bi3  1  0.42  0.69  0.0  1.0
  Bi  Bi4  1  0.42  0.83  0.0  1.0
  Mo  Mo5  1  0.0  0.0  0.0  1.0
  Mo  Mo6  1  0.42  0.26  0.41  1.0
  Mo  Mo7  1  0.42  0.26  0.59  1.0

Bi Bi Bi Bi Bi Mo Mo Mo
Bi Bi Bi Bi Bi Mo Mo Mo 0 5 o o o 1 2 o o o 3 4 o o o 6 7 o o o 