data_[Er14Hg2Pd8]
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 [C2/m]
_cell_length_a [13.9139]
_cell_length_b [5.4888]
_cell_length_c [9.5584]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.6346]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er7HgPd4]
_chemical_formula_sum '[Er14 Hg2 Pd8]'
_cell_volume [593.2918]
_cell_formula_units_Z [2]
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  0.0667  0.0000  0.3728  1
  Er  Er1  4  0.1995  0.5000  0.6460  1
  Er  Er2  4  0.2149  0.0000  0.8811  1
  Er  Er3  2  0.0000  0.5000  0.0000  1
  Hg  Hg4  2  0.0000  0.0000  0.0000  1
  Pd  Pd5  4  0.0649  0.5000  0.7688  1
  Pd  Pd6  4  0.2014  0.5000  0.3451  1
]