data_[Er20Hg8C4]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.8720]
_cell_length_b [15.8082]
_cell_length_c [12.1387]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Er5Hg2C]
_chemical_formula_sum '[Er20 Hg8 C4]'
_cell_volume [934.8917]
_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  0.0873  0.1065  1
  Er  Er1  8  0.0000  0.2988  0.0914  1
  Er  Er2  4  0.0000  0.2976  0.7500  1
  Hg  Hg3  8  0.0000  0.1008  0.6358  1
  C  C4  4  0.0000  0.1878  0.2500  1
]