data_[Cu4Sn8Au4Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  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 [Fmm2]
_cell_length_a [8.3299]
_cell_length_b [10.1061]
_cell_length_c [10.8325]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [CuSn2AuSe4]
_chemical_formula_sum '[Cu4 Sn8 Au4 Se16]'
_cell_volume [911.9095]
_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
[
  Cu  Cu0  4  0.0000  0.0000  0.4516  1.0
  Sn  Sn1  8  0.2500  0.2500  0.2258  1.0
  Au  Au2  4  0.0000  0.0000  0.0824  1.0
  Se  Se3  8  0.0000  0.2262  0.3866  1.0
  Se  Se4  8  0.2098  0.0000  0.6205  1.0
]