data_[Er22Ni8Hg18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ni  1.9100  1.3500  0.7400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [14.2836]
_cell_length_b [21.4550]
_cell_length_c [3.5495]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Er11Ni4Hg9]
_chemical_formula_sum '[Er22 Ni8 Hg18]'
_cell_volume [1087.7543]
_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  0.2495  0.1672  0.0000  1
  Er  Er1  4  0.0000  0.1645  0.0000  1
  Er  Er2  4  0.0000  0.3727  0.0000  1
  Er  Er3  4  0.1926  0.5000  0.0000  1
  Er  Er4  2  0.0000  0.0000  0.0000  1
  Ni  Ni5  8  0.1486  0.4010  0.5000  1
  Hg  Hg6  8  0.1078  0.2622  0.5000  1
  Hg  Hg7  8  0.1449  0.0732  0.5000  1
  Hg  Hg8  2  0.0000  0.5000  0.5000  1
]