data_[Sr8Ca24Pt8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ca  1.0000  1.8000  1.1400
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.3907]
_cell_length_b [14.4979]
_cell_length_c [7.6432]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.5638]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [SrCa3Pt]
_chemical_formula_sum '[Sr8 Ca24 Pt8]'
_cell_volume [1463.2107]
_cell_formula_units_Z [8]
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
[
  Sr  Sr0  8  0.1167  0.2976  0.6108  1.0
  Ca  Ca1  8  0.1077  0.0609  0.4484  1.0
  Ca  Ca2  8  0.1284  0.4251  0.1665  1.0
  Ca  Ca3  8  0.1382  0.1779  0.0451  1.0
  Pt  Pt4  4  0.0000  0.1034  0.7500  1.0
  Pt  Pt5  4  0.0000  0.2648  0.2500  1.0
]