data_BaBiPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.43
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   103.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBiPt2
_chemical_formula_sum   'Ba1 Bi1 Pt2'
_cell_volume   108.27
_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
  Ba  Ba0  1  0.45  0.0  0.13  1.0
  Bi  Bi1  1  0.54  0.22  0.95  1.0
  Pt  Pt2  1  0.37  0.0  0.05  1.0
  Pt  Pt3  1  0.44  0.22  0.96  1.0

data_BaBiPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.43
_cell_length_b   4.53
_cell_length_c   5.55
_cell_angle_alpha   103.87
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBiPt2
_chemical_formula_sum   'Ba1 Bi1 Pt2'
_cell_volume   108.27
_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
  Ba  Ba0  1  0.0  0.55  0.87  1.0
  Bi  Bi1  1  0.78  0.46  0.05  1.0
  Pt  Pt2  1  0.0  0.63  0.95  1.0
  Pt  Pt3  1  0.78  0.56  0.04  1.0

Ba Bi Pt Pt
Ba Bi Pt Pt 0 2 o o o 1 3 o o o 