data_[Ca4P4Pd2Pt2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.3313]
_cell_length_b [8.3912]
_cell_length_c [6.6184]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Ca2P2PdPt]
_chemical_formula_sum '[Ca4 P4 Pd2 Pt2]'
_cell_volume [240.5458]
_cell_formula_units_Z [2]
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  2  0.5000  0.1269  0.6318  1
  Ca  Ca1  2  0.5000  0.4161  0.0691  1
  P  P2  2  0.0000  0.0722  0.3300  1
  P  P3  2  0.0000  0.3839  0.7530  1
  Pd  Pd4  2  0.0000  0.1679  0.0040  1
  Pt  Pt5  2  0.0000  0.3428  0.3863  1
]