data_CaBi2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.52
_cell_length_b   3.52
_cell_length_c   8.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaBi2Pt
_chemical_formula_sum   'Ca1 Bi2 Pt1'
_cell_volume   108.75
_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
  Ca  Ca2  1  0.0  0.0  0.02  1.0
  Bi  Bi0  1  0.0  0.0  0.64  1.0
  Bi  Bi1  1  0.47  0.0  0.41  1.0
  Pt  Pt3  1  0.47  0.0  0.13  1.0

data_CaBi2Pt
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.52
_cell_length_b   3.52
_cell_length_c   8.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CaBi2Pt
_chemical_formula_sum   'Ca1 Bi2 Pt1'
_cell_volume   108.76
_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
  Ca  Ca0  1  0.0  0.0  0.02  1.0
  Bi  Bi1  1  0.0  0.0  0.64  1.0
  Bi  Bi2  1  0.47  0.0  0.41  1.0
  Pt  Pt3  1  0.47  0.0  0.13  1.0

Ca Bi Bi Pt
Ca Bi Bi Pt 0 3 - o o 0 3 o o o 1 2 - o o 1 2 o o o 2 3 o o o 