data_[Sr4Ca12Pt4]
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]
_cell_length_a [8.3858]
_cell_length_b [13.1928]
_cell_length_c [7.8242]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.0962]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [SrCa3Pt]
_chemical_formula_sum '[Sr4 Ca12 Pt4]'
_cell_volume [733.3047]
_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
[
  Sr  Sr0  4  0.0669  0.0334  0.7932  1.0
  Ca  Ca1  4  0.0638  0.4727  0.2899  1.0
  Ca  Ca2  4  0.2213  0.7305  0.8120  1.0
  Ca  Ca3  4  0.2248  0.7762  0.3144  1.0
  Pt  Pt4  2  0.0000  0.6306  0.0000  1.0
  Pt  Pt5  2  0.0000  0.8700  0.5000  1.0
]