data_Bi5Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.41
_cell_length_b   7.41
_cell_length_c   8.18
_cell_angle_alpha   110.42
_cell_angle_beta   110.42
_cell_angle_gamma   27.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi5Mo
_chemical_formula_sum   'Bi5 Mo1'
_cell_volume   191.83
_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  0.72  0.0  0.55  1.0
  Bi  Bi1  1  0.16  0.0  0.45  1.0
  Bi  Bi2  1  0.08  0.0  0.84  1.0
  Bi  Bi3  1  0.56  0.0  0.35  1.0
  Bi  Bi4  1  0.22  0.0  0.82  1.0
  Mo  Mo5  1  0.24  0.0  0.25  1.0

data_Bi5Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   7.41
_cell_length_c   8.18
_cell_angle_alpha   110.42
_cell_angle_beta   90.0
_cell_angle_gamma   103.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi5Mo
_chemical_formula_sum   'Bi5 Mo1'
_cell_volume   191.83
_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  0.28  0.45  1.0
  Bi  Bi1  1  0.0  0.44  0.65  1.0
  Bi  Bi2  1  0.0  0.78  0.18  1.0
  Bi  Bi3  1  0.0  0.84  0.55  1.0
  Bi  Bi4  1  0.0  0.92  0.16  1.0
  Mo  Mo5  1  0.0  0.76  0.75  1.0

Bi Bi Bi Bi Bi Mo