data_[Ca16Hg4Pt2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Hg  2.0000  1.5000  1.2450
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.1334]
_cell_length_b [5.3012]
_cell_length_c [7.1984]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1823]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca8Hg2Pt]
_chemical_formula_sum '[Ca16 Hg4 Pt2]'
_cell_volume [697.5532]
_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  0.0275  0.0000  0.7981  1.0
  Ca  Ca1  4  0.0909  0.5000  0.4211  1.0
  Ca  Ca2  4  0.1530  0.5000  0.9619  1.0
  Ca  Ca3  4  0.2102  0.0000  0.3075  1.0
  Hg  Hg4  4  0.1843  0.0000  0.7205  1.0
  Pt  Pt5  2  0.0000  0.5000  0.0000  1.0
]