data_[Er20Hg8Pd8]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [15.7841]
_cell_length_b [7.6251]
_cell_length_c [7.5155]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Er5(HgPd)2]
_chemical_formula_sum '[Er20 Hg8 Pd8]'
_cell_volume [904.5313]
_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  16  0.1273  0.1745  0.6677  1.0
  Er  Er1  4  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  8  0.2135  0.0000  0.0000  1.0
  Pd  Pd3  8  0.0000  0.1302  0.3688  1.0
]