data_[Er1Cd4Au5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Cd  1.6900  1.5500  1.0900
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.4317]
_cell_length_b [3.4317]
_cell_length_c [17.2876]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [ErCd4Au5]
_chemical_formula_sum '[Er1 Cd4 Au5]'
_cell_volume [203.5914]
_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  0.0000  1.0
  Cd  Cd1  2  0.0000  0.0000  0.2074  1.0
  Cd  Cd2  2  0.0000  0.0000  0.4031  1.0
  Au  Au3  2  0.5000  0.5000  0.1038  1.0
  Au  Au4  2  0.5000  0.5000  0.3064  1.0
  Au  Au5  1  0.5000  0.5000  0.5000  1.0
]