data_[Gd8As16Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  As  2.1800  1.1500  0.6600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [5.7296]
_cell_length_b [5.7158]
_cell_length_c [20.5042]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [GdAs2Au]
_chemical_formula_sum '[Gd8 As16 Au8]'
_cell_volume [671.4955]
_cell_formula_units_Z [8]
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
[
  Gd  Gd0  8  0.0000  0.2372  0.8828  1.0
  As  As1  8  0.0000  0.2370  0.6547  1.0
  As  As2  8  0.2273  0.0000  0.5000  1.0
  Au  Au3  8  0.2500  0.0159  0.2500  1.0
]