data_BiMo2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   6.03
_cell_angle_alpha   100.27
_cell_angle_beta   100.27
_cell_angle_gamma   40.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiMo2Cl
_chemical_formula_sum   'Bi1 Mo2 Cl1'
_cell_volume   82.91
_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  0.81  0.0  0.96  1.0
  Mo  Mo2  1  0.27  0.0  0.0  1.0
  Mo  Mo3  1  0.35  0.0  0.92  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_BiMo2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   4.67
_cell_length_c   6.03
_cell_angle_alpha   100.27
_cell_angle_beta   90.0
_cell_angle_gamma   110.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiMo2Cl
_chemical_formula_sum   'Bi1 Mo2 Cl1'
_cell_volume   82.91
_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  0.19  0.04  1.0
  Mo  Mo1  1  0.0  0.65  0.08  1.0
  Mo  Mo2  1  0.0  0.73  1.0  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Bi Mo Mo Cl
Bi Mo Mo Cl 0 3 + o + 1 2 o o - 