data_BRu2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   4.9
_cell_angle_alpha   146.4
_cell_angle_beta   127.52
_cell_angle_gamma   63.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BRu2W
_chemical_formula_sum   'B1 Ru2 W1'
_cell_volume   50.94
_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  0.29  1.0
  Ru  Ru1  1  0.0  0.16  0.75  1.0
  Ru  Ru2  1  0.0  0.0  0.06  1.0
  W  W3  1  0.0  0.16  0.37  1.0

data_BRu2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.33
_cell_length_c   4.9
_cell_angle_alpha   116.24
_cell_angle_beta   106.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BRu2W
_chemical_formula_sum   'B1 Ru2 W1'
_cell_volume   50.94
_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  0.29  0.29  1.0
  Ru  Ru1  1  0.0  0.06  0.06  1.0
  Ru  Ru2  1  0.84  0.59  0.59  1.0
  W  W3  1  0.84  0.2  0.2  1.0

B Ru Ru W
B Ru Ru W 0 3 o o o 0 1 o o o 0 2 o o o 1 3 o o o 2 3 o o o 