data_BiMoCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85
_cell_length_b   5.85
_cell_length_c   5.85
_cell_angle_alpha   137.22
_cell_angle_beta   137.22
_cell_angle_gamma   62.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiMoCl2
_chemical_formula_sum   'Bi1 Mo1 Cl2'
_cell_volume   91.37
_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  0.51  1.0
  Mo  Mo3  1  0.0  0.0  0.01  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.13  0.0  0.51  1.0

data_BiMoCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.27
_cell_length_b   4.27
_cell_length_c   5.85
_cell_angle_alpha   111.39
_cell_angle_beta   111.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiMoCl2
_chemical_formula_sum   'Bi1 Mo1 Cl2'
_cell_volume   91.37
_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  0.63  0.13  0.63  1.0
  Mo  Mo1  1  0.99  0.0  0.99  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0
  Cl  Cl3  1  0.49  0.0  0.63  1.0

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