data_[Ca4Cd2In2Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.7395]
_cell_length_b [4.9213]
_cell_length_c [7.7573]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8646]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ca2CdInHg]
_chemical_formula_sum '[Ca4 Cd2 In2 Hg2]'
_cell_volume [282.7585]
_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  2  0.0477  0.7500  0.6886  1.0
  Ca  Ca1  2  0.3664  0.2500  0.1338  1.0
  Cd  Cd2  2  0.3367  0.7500  0.4546  1.0
  In  In3  2  0.3323  0.2500  0.6851  1.0
  Hg  Hg4  2  0.0591  0.7500  0.1121  1.0
]