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/m]
_cell_length_a [10.6631]
_cell_length_b [4.2138]
_cell_length_c [10.7593]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.0699]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2PPt2]
_chemical_formula_sum '[Ca8 P4 Pt8]'
_cell_volume [444.7777]
_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  4  0.1019  0.0000  0.9006  1.0
  Ca  Ca1  4  0.1919  0.5000  0.6368  1.0
  P  P2  4  0.0785  0.5000  0.3225  1.0
  Pt  Pt3  4  0.0413  0.0000  0.3956  1.0
  Pt  Pt4  4  0.1080  0.5000  0.1201  1.0
]