data_B3Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12
_cell_length_b   3.12
_cell_length_c   4.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   122.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B3Mo
_chemical_formula_sum   'B3 Mo1'
_cell_volume   39.8
_cell_formula_units_Z   1
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  0.49  0.0  0.84  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  B  B2  1  0.49  0.0  0.04  1.0
  Mo  Mo3  1  0.0  0.0  0.44  1.0

data_B3Mo
_symmetry_space_group_name_H-M   P2
_cell_length_a   2.98
_cell_length_b   4.88
_cell_length_c   3.12
_cell_angle_alpha   90.0
_cell_angle_beta   118.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   B3Mo
_chemical_formula_sum   'B3 Mo1'
_cell_volume   39.8
_cell_formula_units_Z   1
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  0.0  0.0  1.0
  B  B1  1  0.0  0.16  0.5  1.0
  B  B2  1  0.0  0.96  0.5  1.0
  Mo  Mo3  1  0.0  0.56  0.0  1.0

B B B Mo