data_[Y4Sn4Au4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.0799]
_cell_length_b [4.2028]
_cell_length_c [15.4728]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [YSnAuSe3]
_chemical_formula_sum '[Y4 Sn4 Au4 Se12]'
_cell_volume [655.4907]
_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  0.1795  0.7500  0.5217  1
  Sn  Sn1  4  0.0355  0.2500  0.7887  1
  Au  Au2  4  0.2420  0.7500  0.8276  1
  Se  Se3  4  0.0246  0.2500  0.6058  1
  Se  Se4  4  0.1468  0.7500  0.9749  1
  Se  Se5  4  0.1531  0.2500  0.1843  1
]