data_[Er2Pd10Au12]
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 [Cmmm]
_cell_length_a [4.1704]
_cell_length_b [12.4395]
_cell_length_c [8.0907]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [ErPd5Au6]
_chemical_formula_sum '[Er2 Pd10 Au12]'
_cell_volume [419.7252]
_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  0.0000  0.0000  0.0000  1.0
  Pd  Pd1  4  0.0000  0.3349  0.0000  1.0
  Pd  Pd2  4  0.0000  0.3349  0.5000  1.0
  Pd  Pd3  2  0.0000  0.0000  0.5000  1.0
  Au  Au4  8  0.0000  0.1691  0.2557  1.0
  Au  Au5  4  0.0000  0.5000  0.2588  1.0
]