data_[Ca12Ag4Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ag  1.9300  1.6000  1.0867
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.0891]
_cell_length_b [7.6335]
_cell_length_c [8.3202]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2313]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ca3AgPt]
_chemical_formula_sum '[Ca12 Ag4 Pt4]'
_cell_volume [556.9913]
_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  0.1562  0.1828  0.0405  1
  Ca  Ca1  4  0.2351  0.6522  0.9067  1
  Ca  Ca2  4  0.4569  0.0033  0.7889  1
  Ag  Ag3  4  0.0734  0.5440  0.1886  1
  Pt  Pt4  4  0.4288  0.1780  0.4700  1
]