data_[Na4Y4Au4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Y  1.2200  1.8000  1.0400
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.6629]
_cell_length_b [4.0071]
_cell_length_c [14.0160]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NaYAuSe3]
_chemical_formula_sum '[Na4 Y4 Au4 Se12]'
_cell_volume [598.8614]
_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
[
  Na  Na0  4  0.2211  0.7500  0.0158  1
  Y  Y1  4  0.0182  0.2500  0.7447  1
  Au  Au2  4  0.2355  0.2500  0.2208  1
  Se  Se3  4  0.0374  0.2500  0.1133  1
  Se  Se4  4  0.0783  0.7500  0.6044  1
  Se  Se5  4  0.2325  0.7500  0.3422  1
]