data_B3Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.01
_cell_length_b   4.07
_cell_length_c   4.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B3Mo
_chemical_formula_sum   'B6 Mo2'
_cell_volume   68.54
_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  0.92  1.0
  B  B1  1  0.0  0.03  0.28  1.0
  B  B2  1  0.0  0.92  0.57  1.0
  B  B3  1  0.0  0.14  0.57  1.0
  B  B4  1  0.0  0.89  0.63  1.0
  B  B5  1  0.0  0.18  0.63  1.0
  Mo  Mo6  1  0.0  0.0  0.56  1.0
  Mo  Mo7  1  0.0  0.03  0.64  1.0

data_B3Mo
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.07
_cell_length_b   4.01
_cell_length_c   4.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   B3Mo
_chemical_formula_sum   'B6 Mo2'
_cell_volume   68.54
_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  1  0.0  0.5  0.92  1.0
  B  B1  1  0.03  0.5  0.28  1.0
  B  B2  1  0.14  0.5  0.57  1.0
  B  B3  1  0.18  0.5  0.63  1.0
  B  B4  1  0.89  0.5  0.63  1.0
  B  B5  1  0.92  0.5  0.57  1.0
  Mo  Mo6  1  0.0  0.5  0.56  1.0
  Mo  Mo7  1  0.03  0.5  0.64  1.0

B B B B B B Mo Mo