data_BMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   5.71
_cell_angle_alpha   148.39
_cell_angle_beta   128.57
_cell_angle_gamma   61.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BMo2
_chemical_formula_sum   'B2 Mo4'
_cell_volume   75.69
_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  0.16  1.0
  B  B1  1  0.0  0.0  0.65  1.0
  Mo  Mo2  1  0.0  0.24  0.0  1.0
  Mo  Mo3  1  0.0  0.48  0.82  1.0
  Mo  Mo4  1  0.0  0.72  0.0  1.0
  Mo  Mo5  1  0.56  0.0  0.09  1.0

data_BMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.96
_cell_length_c   5.71
_cell_angle_alpha   115.72
_cell_angle_beta   105.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BMo2
_chemical_formula_sum   'B2 Mo4'
_cell_volume   75.69
_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  0.16  0.16  1.0
  B  B1  1  0.0  0.65  0.65  1.0
  Mo  Mo2  1  0.0  0.09  0.53  1.0
  Mo  Mo3  1  0.28  0.28  0.28  1.0
  Mo  Mo4  1  0.52  0.34  0.34  1.0
  Mo  Mo5  1  0.76  0.76  0.76  1.0

B B Mo Mo Mo Mo