data_[Ca4Cd4In2Hg14]
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 [Cmmm]
_cell_length_a [6.8724]
_cell_length_b [7.3018]
_cell_length_c [12.7594]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ca2Cd2InHg7]
_chemical_formula_sum '[Ca4 Cd4 In2 Hg14]'
_cell_volume [640.2749]
_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  0.0000  0.0000  0.3180  1.0
  Cd  Cd1  4  0.0000  0.5000  0.2930  1.0
  In  In2  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg3  8  0.2500  0.2500  0.1542  1.0
  Hg  Hg4  4  0.0000  0.2868  0.5000  1.0
  Hg  Hg5  2  0.0000  0.5000  0.0000  1.0
]