data_[Er10Tl4Hg2Ir4]
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
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [11.8351]
_cell_length_b [11.8351]
_cell_length_c [3.6595]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Er5Tl2HgIr2]
_chemical_formula_sum '[Er10 Tl4 Hg2 Ir4]'
_cell_volume [512.5829]
_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  0.0772  0.2053  0.5000  1.0
  Er  Er1  2  0.0000  0.5000  0.5000  1.0
  Tl  Tl2  4  0.1722  0.6722  0.0000  1.0
  Hg  Hg3  2  0.0000  0.0000  0.0000  1.0
  Ir  Ir4  4  0.1311  0.3689  0.0000  1.0
]