data_[Er22Tl18Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [14.9502]
_cell_length_b [22.6484]
_cell_length_c [3.7502]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Er11Tl9Hg4]
_chemical_formula_sum '[Er22 Tl18 Hg8]'
_cell_volume [1269.8095]
_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  0.2401  0.1724  0.0000  1
  Er  Er1  4  0.0000  0.1625  0.0000  1
  Er  Er2  4  0.0000  0.3552  0.0000  1
  Er  Er3  4  0.2171  0.5000  0.0000  1
  Er  Er4  2  0.0000  0.0000  0.0000  1
  Tl  Tl5  8  0.1129  0.2550  0.5000  1
  Tl  Tl6  8  0.1317  0.0771  0.5000  1
  Tl  Tl7  2  0.0000  0.5000  0.5000  1
  Hg  Hg8  8  0.1471  0.4021  0.5000  1
]