data_[Er2Al2Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Al  1.6100  1.2500  0.6750
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.5267]
_cell_length_b [4.4145]
_cell_length_c [7.0180]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6196]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ErAlAu3]
_chemical_formula_sum '[Er2 Al2 Au6]'
_cell_volume [195.6585]
_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  2  0.3030  0.2500  0.3095  1
  Al  Al1  2  0.2818  0.7500  0.9344  1
  Au  Au2  2  0.0191  0.2500  0.8737  1
  Au  Au3  2  0.1549  0.7500  0.5451  1
  Au  Au4  2  0.4086  0.2500  0.7579  1
]