data_CaIrPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.1
_cell_angle_alpha   99.95
_cell_angle_beta   99.95
_cell_angle_gamma   33.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaIrPt2
_chemical_formula_sum   'Ca1 Ir1 Pt2'
_cell_volume   69.18
_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  0.0  1.0
  Ir  Ir1  1  0.33  0.0  0.51  1.0
  Pt  Pt2  1  0.04  0.0  0.38  1.0
  Pt  Pt3  1  0.62  0.0  0.63  1.0

data_CaIrPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   5.0
_cell_length_c   5.1
_cell_angle_alpha   99.95
_cell_angle_beta   90.0
_cell_angle_gamma   106.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaIrPt2
_chemical_formula_sum   'Ca1 Ir1 Pt2'
_cell_volume   69.18
_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  0.0  1.0
  Ir  Ir1  1  0.0  0.67  0.49  1.0
  Pt  Pt2  1  0.0  0.38  0.37  1.0
  Pt  Pt3  1  0.0  0.96  0.62  1.0

Ca Ir Pt Pt