data_BMo2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   2.87
_cell_length_c   8.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BMo2Cl
_chemical_formula_sum   'B1 Mo2 Cl1'
_cell_volume   64.75
_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
  B  B0  1  0.0  0.0  0.77  1.0
  Mo  Mo2  1  0.0  0.0  0.31  1.0
  Mo  Mo3  1  0.64  0.0  0.05  1.0
  Cl  Cl1  1  0.64  0.0  0.81  1.0

data_BMo2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   2.87
_cell_length_c   8.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BMo2Cl
_chemical_formula_sum   'B1 Mo2 Cl1'
_cell_volume   64.75
_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
  B  B0  1  0.0  0.0  0.77  1.0
  Mo  Mo1  1  0.0  0.0  0.31  1.0
  Mo  Mo2  1  0.64  0.0  0.05  1.0
  Cl  Cl3  1  0.64  0.0  0.81  1.0

B Mo Mo Cl