data_[Ba10Sr4Cd2Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [14.6024]
_cell_length_b [14.6024]
_cell_length_c [4.3907]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Ba5Sr2CdHg2]
_chemical_formula_sum '[Ba10 Sr4 Cd2 Hg4]'
_cell_volume [936.2270]
_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
[
  Ba  Ba0  8  0.0466  0.8021  0.5000  1
  Ba  Ba1  2  0.0000  0.5000  0.5000  1
  Sr  Sr2  4  0.1927  0.3073  0.0000  1
  Cd  Cd3  2  0.0000  0.0000  0.0000  1
  Hg  Hg4  4  0.1355  0.6355  0.0000  1
]