data_CaPPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   136.81
_cell_angle_beta   129.87
_cell_angle_gamma   68.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPPt
_chemical_formula_sum   'Ca1 P1 Pt1'
_cell_volume   63.14
_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  Ca0  1  0.0  0.0  0.09  1.0
  P  P1  1  0.0  0.0  0.92  1.0
  Pt  Pt2  1  0.0  0.0  0.2  1.0

data_CaPPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.65
_cell_length_b   4.21
_cell_length_c   4.96
_cell_angle_alpha   115.06
_cell_angle_beta   111.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPPt
_chemical_formula_sum   'Ca1 P1 Pt1'
_cell_volume   63.14
_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  Ca0  1  0.91  0.91  0.91  1.0
  P  P1  1  0.08  0.08  0.08  1.0
  Pt  Pt2  1  0.8  0.8  0.8  1.0

Ca P Pt
Ca P Pt 0 2 o o o 0 1 o o - 