data_[Er12Zn4Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Zn  1.6500  1.3500  0.8800
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.0642]
_cell_length_b [19.8269]
_cell_length_c [5.0681]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Er3ZnHg]
_chemical_formula_sum '[Er12 Zn4 Hg4]'
_cell_volume [508.8755]
_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  0.0000  0.0629  0.2500  1
  Er  Er1  4  0.0000  0.2492  0.2500  1
  Er  Er2  4  0.0000  0.4345  0.2500  1
  Zn  Zn3  4  0.0000  0.1560  0.7500  1
  Hg  Hg4  4  0.0000  0.3410  0.7500  1
]