data_[Ca12Ag6Hg3Pt3]
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
  Hg  2.0000  1.5000  1.2450
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.2056]
_cell_length_b [5.2056]
_cell_length_c [25.3983]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ca4Ag2HgPt]
_chemical_formula_sum '[Ca12 Ag6 Hg3 Pt3]'
_cell_volume [596.0453]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1309  1.0
  Ca  Ca1  6  0.0000  0.0000  0.3820  1.0
  Ag  Ag2  6  0.0000  0.0000  0.2539  1.0
  Hg  Hg3  3  0.0000  0.0000  0.0000  1.0
  Pt  Pt4  3  -0.0000  -0.0000  0.5000  1.0
]