data_BMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   6.52
_cell_angle_alpha   123.18
_cell_angle_beta   123.18
_cell_angle_gamma   38.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BMo2
_chemical_formula_sum   'B2 Mo4'
_cell_volume   74.45
_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  0.06  0.0  0.44  1.0
  B  B1  1  0.09  0.0  0.87  1.0
  Mo  Mo2  1  0.42  0.0  0.89  1.0
  Mo  Mo3  1  0.39  0.0  0.93  1.0
  Mo  Mo4  1  0.76  0.0  0.38  1.0
  Mo  Mo5  1  0.73  0.0  0.42  1.0

data_BMo2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.14
_cell_length_b   4.73
_cell_length_c   5.58
_cell_angle_alpha   77.92
_cell_angle_beta   73.64
_cell_angle_gamma   70.61
_symmetry_Int_Tables_number   2
_chemical_formula_structural   BMo2
_chemical_formula_sum   'B2 Mo4'
_cell_volume   74.45
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.2  0.29  1.0
  Mo  Mo1  2  0.0  0.04  0.78  1.0
  Mo  Mo2  2  0.0  0.12  0.73  1.0

B B Mo Mo Mo Mo