data_[Er20Hg8O4]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.6235]
_cell_length_b [19.8327]
_cell_length_c [12.6396]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Er5Hg2O]
_chemical_formula_sum '[Er20 Hg8 O4]'
_cell_volume [908.3185]
_cell_formula_units_Z [4]
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  0.0000  0.0771  0.1040  1
  Er  Er1  8  0.0000  0.3144  0.0554  1
  Er  Er2  4  0.0000  0.3001  0.7500  1
  Hg  Hg3  8  0.0000  0.0736  0.6395  1
  O  O4  4  0.0000  0.1331  0.2500  1
]