data_[Er16In4Au2]
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 [C2/m]
_cell_length_a [18.6339]
_cell_length_b [5.0761]
_cell_length_c [6.6985]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5979]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er8In2Au]
_chemical_formula_sum '[Er16 In4 Au2]'
_cell_volume [620.6550]
_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  4  0.0175  0.0000  0.7682  1.0
  Er  Er1  4  0.0924  0.5000  0.4631  1.0
  Er  Er2  4  0.1513  0.5000  0.9823  1.0
  Er  Er3  4  0.2083  0.0000  0.3078  1.0
  In  In4  4  0.1868  0.0000  0.7539  1.0
  Au  Au5  2  0.0000  0.5000  0.0000  1.0
]