data_[Er1Pd7Au3]
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 [P3m1]
_cell_length_a [5.7131]
_cell_length_b [5.7131]
_cell_length_c [6.9952]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [ErPd7Au3]
_chemical_formula_sum '[Er1 Pd7 Au3]'
_cell_volume [197.7292]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5717  1.0
  Pd  Pd1  3  0.3419  0.1709  0.8878  1.0
  Pd  Pd2  3  0.5017  0.0034  0.5476  1.0
  Pd  Pd3  1  0.3333  0.6667  0.8707  1.0
  Au  Au4  3  0.1678  0.3356  0.2121  1.0
]