data_[Gd8Au4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.8986]
_cell_length_b [3.9970]
_cell_length_c [18.1972]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Gd2AuSe3]
_chemical_formula_sum '[Gd8 Au4 Se12]'
_cell_volume [574.4908]
_cell_formula_units_Z [4]
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  4  0.0467  0.2500  0.2966  1
  Gd  Gd1  4  0.2251  0.7500  0.9990  1
  Au  Au2  4  0.0706  0.2500  0.8957  1
  Se  Se3  4  0.0494  0.7500  0.4176  1
  Se  Se4  4  0.1660  0.2500  0.1109  1
  Se  Se5  4  0.1904  0.2500  0.7585  1
]