data_B2MoW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   4.55
_cell_length_c   4.55
_cell_angle_alpha   40.71
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2MoW
_chemical_formula_sum   'B2 Mo1 W1'
_cell_volume   41.91
_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  0.92  1.0
  B  B1  1  0.55  0.0  0.9  1.0
  Mo  Mo2  1  0.0  0.0  0.9  1.0
  W  W3  1  0.55  0.0  0.37  1.0

data_B2MoW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   3.17
_cell_length_c   4.55
_cell_angle_alpha   110.36
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2MoW
_chemical_formula_sum   'B2 Mo1 W1'
_cell_volume   41.91
_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  0.92  0.92  1.0
  B  B1  1  0.45  0.9  0.9  1.0
  Mo  Mo2  1  0.0  0.9  0.9  1.0
  W  W3  1  0.45  0.37  0.37  1.0

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