data_[Er5In4Au1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  In  1.7800  1.5500  0.9400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5561]
_cell_length_b [3.5561]
_cell_length_c [20.0938]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Er5In4Au]
_chemical_formula_sum '[Er5 In4 Au1]'
_cell_volume [254.1070]
_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  2  0.5000  0.5000  0.0878  1
  Er  Er1  2  0.5000  0.5000  0.2936  1
  Er  Er2  1  0.5000  0.5000  0.5000  1
  In  In3  2  0.0000  0.0000  0.1915  1
  In  In4  2  0.0000  0.0000  0.3970  1
  Au  Au5  1  0.0000  0.0000  0.0000  1
]