data_BRuW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   148.36
_cell_angle_beta   129.9
_cell_angle_gamma   60.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BRuW2
_chemical_formula_sum   'B1 Ru1 W2'
_cell_volume   52.68
_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  0.08  1.0
  Ru  Ru1  1  0.39  0.0  0.77  1.0
  W  W2  1  0.0  0.0  0.34  1.0
  W  W3  1  0.0  0.16  0.61  1.0

data_BRuW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   4.31
_cell_length_c   5.09
_cell_angle_alpha   115.05
_cell_angle_beta   105.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BRuW2
_chemical_formula_sum   'B1 Ru1 W2'
_cell_volume   52.68
_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  0.92  0.92  0.92  1.0
  Ru  Ru1  1  0.62  0.23  0.62  1.0
  W  W2  1  0.39  0.55  0.55  1.0
  W  W3  1  0.66  0.66  0.66  1.0

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