data_BRuPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   4.5
_cell_angle_alpha   128.83
_cell_angle_beta   128.83
_cell_angle_gamma   75.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BRuPt2
_chemical_formula_sum   'B1 Ru1 Pt2'
_cell_volume   53.76
_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
  Ru  Ru3  1  0.0  0.94  0.78  1.0
  Pt  Pt1  1  0.94  0.0  0.78  1.0
  Pt  Pt2  1  0.0  0.0  0.56  1.0

data_BRuPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.89
_cell_length_b   3.89
_cell_length_c   4.5
_cell_angle_alpha   115.59
_cell_angle_beta   115.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BRuPt2
_chemical_formula_sum   'B1 Ru1 Pt2'
_cell_volume   53.76
_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
  Ru  Ru1  1  0.16  0.94  0.16  1.0
  Pt  Pt2  1  0.22  0.0  0.16  1.0
  Pt  Pt3  1  0.44  0.0  0.44  1.0

B Ru Pt Pt