data_[Er2Pd6Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.7717]
_cell_length_b [4.2072]
_cell_length_c [8.7812]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.3045]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ErPd3Au2]
_chemical_formula_sum '[Er2 Pd6 Au4]'
_cell_volume [213.0595]
_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  2  0.1246  0.2500  0.7462  1.0
  Pd  Pd1  2  0.1316  0.2500  0.4165  1.0
  Pd  Pd2  2  0.3723  0.7500  0.9157  1.0
  Pd  Pd3  2  0.3748  0.7500  0.2472  1.0
  Au  Au4  2  0.1385  0.2500  0.0832  1.0
  Au  Au5  2  0.3765  0.7500  0.5825  1.0
]