data_[Ca3In2Ag4Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.8904]
_cell_length_b [4.8904]
_cell_length_c [13.4320]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ca3In2(Ag2Hg)2]
_chemical_formula_sum '[Ca3 In2 Ag4 Hg2]'
_cell_volume [278.1978]
_cell_formula_units_Z [1]
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  2  0.0000  0.0000  0.2725  1
  Ca  Ca1  1  0.0000  0.0000  0.0000  1
  In  In2  2  0.3333  0.6667  0.5783  1
  Ag  Ag3  2  0.3333  0.6667  0.3708  1
  Ag  Ag4  2  0.3333  0.6667  0.8665  1
  Hg  Hg5  2  0.3333  0.6667  0.1404  1
]