data_[Ca8P4Pt8]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.5561]
_cell_length_b [5.5126]
_cell_length_c [7.9688]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3066]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ca2PPt2]
_chemical_formula_sum '[Ca8 P4 Pt8]'
_cell_volume [410.1391]
_cell_formula_units_Z [4]
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  8  0.1533  0.3799  0.1599  1.0
  P  P1  4  0.0000  0.1248  0.7500  1.0
  Pt  Pt2  8  0.1251  0.1201  0.4900  1.0
]