data_BMo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.68
_cell_length_b   8.68
_cell_length_c   8.68
_cell_angle_alpha   155.73
_cell_angle_beta   155.73
_cell_angle_gamma   34.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BMo3
_chemical_formula_sum   'B2 Mo6'
_cell_volume   110.3
_cell_formula_units_Z   2
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  0.17  1.0
  B  B1  1  0.0  0.0  0.4  1.0
  Mo  Mo2  1  0.0  0.82  0.0  1.0
  Mo  Mo3  1  0.82  0.0  0.0  1.0
  Mo  Mo4  1  0.82  0.0  0.14  1.0
  Mo  Mo5  1  0.0  0.82  0.14  1.0
  Mo  Mo6  1  0.0  0.0  0.53  1.0
  Mo  Mo7  1  0.0  0.0  0.03  1.0

data_BMo3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   8.68
_cell_angle_alpha   90.0
_cell_angle_beta   107.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BMo3
_chemical_formula_sum   'B4 Mo12'
_cell_volume   220.61
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.6  1.0
  B  B1  2  0.0  0.0  0.83  1.0
  Mo  Mo2  4  0.41  0.41  0.68  1.0
  Mo  Mo3  4  0.41  0.41  0.82  1.0
  Mo  Mo4  2  0.0  0.0  0.47  1.0
  Mo  Mo5  2  0.0  0.0  0.97  1.0

B B Mo Mo Mo Mo Mo Mo