data_CuBPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03
_cell_length_b   5.31
_cell_length_c   5.31
_cell_angle_alpha   38.62
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuBPt2
_chemical_formula_sum   'Cu1 B1 Pt2'
_cell_volume   53.33
_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
  Cu  Cu1  1  0.52  0.0  0.92  1.0
  B  B0  1  0.0  0.0  0.55  1.0
  Pt  Pt2  1  0.0  0.0  0.57  1.0
  Pt  Pt3  1  0.52  0.0  0.94  1.0

data_CuBPt2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.51
_cell_length_b   3.03
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   109.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CuBPt2
_chemical_formula_sum   'Cu1 B1 Pt2'
_cell_volume   53.33
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Cu  Cu0  1  0.92  0.5  0.92  1.0
  B  B1  1  0.55  0.0  0.55  1.0
  Pt  Pt2  1  0.57  0.0  0.57  1.0
  Pt  Pt3  1  0.94  0.5  0.94  1.0

Cu B Pt Pt