data_[Ca4La4Mg4Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  La  1.1000  1.9500  1.1720
  Mg  1.3100  1.5000  0.8600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.7977]
_cell_length_b [7.7977]
_cell_length_c [7.7977]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [CaLaMgHg]
_chemical_formula_sum '[Ca4 La4 Mg4 Hg4]'
_cell_volume [474.1353]
_cell_formula_units_Z [4]
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  0.2500  0.2500  0.7500  1.0
  La  La1  4  0.2500  0.2500  0.2500  1.0
  Mg  Mg2  4  0.0000  0.0000  0.0000  1.0
  Hg  Hg3  4  0.0000  0.0000  0.5000  1.0
]