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/m]
_cell_length_a [17.7785]
_cell_length_b [4.1992]
_cell_length_c [10.9813]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.0719]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrCa3Pt]
_chemical_formula_sum '[Sr4 Ca12 Pt4]'
_cell_volume [729.9909]
_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  0.0515  0.0000  0.8724  1.0
  Ca  Ca1  4  0.0969  0.0000  0.5355  1.0
  Ca  Ca2  4  0.1538  0.5000  0.3140  1.0
  Ca  Ca3  4  0.2151  0.5000  0.8294  1.0
  Pt  Pt4  4  0.0206  0.5000  0.6525  1.0
]