data_[Ca16Ag4Pt2]
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 [C2/m]
_cell_length_a [18.9782]
_cell_length_b [5.2698]
_cell_length_c [7.1930]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1600]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca8Ag2Pt]
_chemical_formula_sum '[Ca16 Ag4 Pt2]'
_cell_volume [687.3616]
_cell_formula_units_Z [2]
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  0.0287  0.0000  0.7995  1.0
  Ca  Ca1  4  0.0898  0.5000  0.4215  1.0
  Ca  Ca2  4  0.1554  0.5000  0.9630  1.0
  Ca  Ca3  4  0.2098  0.0000  0.3128  1.0
  Ag  Ag4  4  0.1849  0.0000  0.7176  1.0
  Pt  Pt5  2  0.0000  0.5000  0.0000  1.0
]