data_[Er10Hg2Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Hg  2.0000  1.5000  1.2450
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [I4]
_cell_length_a [9.7439]
_cell_length_b [9.7439]
_cell_length_c [6.2712]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [Er5HgPb4]
_chemical_formula_sum '[Er10 Hg2 Pb8]'
_cell_volume [595.4072]
_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
[
  Er  Er0  8  0.0948  0.3107  0.0291  1
  Er  Er1  2  0.0000  0.0000  0.3710  1
  Hg  Hg2  2  0.0000  0.0000  0.8737  1
  Pb  Pb3  8  0.1034  0.2860  0.5322  1
]