data_BMo2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   7.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BMo2W
_chemical_formula_sum   'B1 Mo2 W1'
_cell_volume   54.86
_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  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.6  0.0  0.55  1.0
  Mo  Mo2  1  0.6  0.0  0.06  1.0
  W  W3  1  0.0  0.0  0.8  1.0

data_BMo2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   7.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BMo2W
_chemical_formula_sum   'B1 Mo2 W1'
_cell_volume   54.86
_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  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.6  0.0  0.06  1.0
  Mo  Mo2  1  0.6  0.0  0.55  1.0
  W  W3  1  0.0  0.0  0.8  1.0

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