data_[Sn2Au2Se3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P1]
_cell_length_a [5.9048]
_cell_length_b [7.4959]
_cell_length_c [17.7845]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [108.9446]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Sn2Au2Se3]
_chemical_formula_sum '[Sn2 Au2 Se3]'
_cell_volume [744.5296]
_cell_formula_units_Z [1]
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
[
  Sn  Sn0  1  0.1847  0.3913  0.5144  1
  Sn  Sn1  1  0.2605  0.8283  0.5592  1
  Au  Au2  1  0.6703  0.1138  0.5035  1
  Au  Au3  1  0.6866  0.6052  0.4955  1
  Se  Se4  1  0.1157  0.6668  0.4255  1
  Se  Se5  1  0.4983  0.3054  0.4227  1
  Se  Se6  1  0.8166  0.8927  0.5793  1
]