data_[Er10In4Au2]
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 [I4mm]
_cell_length_a [6.8653]
_cell_length_b [6.8653]
_cell_length_c [8.8996]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Er5In2Au]
_chemical_formula_sum '[Er10 In4 Au2]'
_cell_volume [419.4623]
_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  8  0.2465  0.2465  0.4772  1
  Er  Er1  2  0.0000  0.0000  0.7349  1
  In  In2  4  0.0000  0.5000  0.2287  1
  Au  Au3  2  0.0000  0.0000  0.1759  1
]