data_BMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   5.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BMo
_chemical_formula_sum   'B2 Mo2'
_cell_volume   45.36
_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  0.38  0.38  0.0  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.38  0.0  0.83  1.0
  Mo  Mo3  1  0.0  0.38  0.12  1.0

data_BMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.9
_cell_length_b   3.9
_cell_length_c   5.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BMo
_chemical_formula_sum   'B4 Mo4'
_cell_volume   90.71
_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  4  0.19  0.19  0.0  1.0
  Mo  Mo1  2  0.0  0.0  0.12  1.0
  Mo  Mo2  2  0.38  0.0  0.83  1.0

B B Mo Mo
B B Mo Mo 0 1 o o o 0 3 o o o 0 2 o o - 1 2 o o - 1 3 o o o 