data_[Er4Cu20Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Cu  1.9000  1.3500  0.8200
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.2528]
_cell_length_b [5.0062]
_cell_length_c [10.4983]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [ErCu5Hg]
_chemical_formula_sum '[Er4 Cu20 Hg4]'
_cell_volume [433.7327]
_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  4  0.2470  0.2500  0.0674  1
  Cu  Cu1  8  0.0686  0.0011  0.3143  1
  Cu  Cu2  4  0.0534  0.7500  0.1076  1
  Cu  Cu3  4  0.0827  0.2500  0.5163  1
  Cu  Cu4  4  0.1868  0.2500  0.7395  1
  Hg  Hg5  4  0.1339  0.7500  0.8653  1
]