data_[Y4Au4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Ima2]
_cell_length_a [7.8995]
_cell_length_b [3.9087]
_cell_length_c [12.5943]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [YAuSe2]
_chemical_formula_sum '[Y4 Au4 Se8]'
_cell_volume [388.8711]
_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
[
  Y  Y0  4  0.2500  0.5136  0.3446  1.0
  Au  Au1  4  0.0000  0.0000  0.6480  1.0
  Se  Se2  4  0.0000  0.0000  0.4214  1.0
  Se  Se3  4  0.2500  0.0949  0.1620  1.0
]