data_[Er16Tl4Hg6]
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 [8.8709]
_cell_length_b [15.7496]
_cell_length_c [5.3988]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Er8Tl2Hg3]
_chemical_formula_sum '[Er16 Tl4 Hg6]'
_cell_volume [754.2817]
_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  0.2184  0.3862  0.5000  1
  Er  Er1  4  0.0000  0.1078  0.0000  1
  Er  Er2  4  0.0000  0.3277  0.0000  1
  Tl  Tl3  4  0.0000  0.2296  0.5000  1
  Hg  Hg4  4  0.1830  0.5000  0.0000  1
  Hg  Hg5  2  0.0000  0.0000  0.5000  1
]