data_[Er6Hg2Ir2]
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
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.5519]
_cell_length_b [6.0036]
_cell_length_c [8.6517]
_cell_angle_alpha [100.9994]
_cell_angle_beta [99.9676]
_cell_angle_gamma [113.6919]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Er3HgIr]
_chemical_formula_sum '[Er6 Hg2 Ir2]'
_cell_volume [249.0094]
_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  2  0.2014  0.7016  0.8970  1.0
  Er  Er1  2  0.2050  0.0608  0.2735  1.0
  Er  Er2  2  0.4446  0.3147  0.7181  1.0
  Hg  Hg3  2  0.1888  0.7502  0.5196  1.0
  Ir  Ir4  2  0.2525  0.2540  0.0013  1.0
]