data_[Cs2Au2Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.5990]
_cell_length_b [7.3112]
_cell_length_c [5.8649]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.5896]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsAuSe]
_chemical_formula_sum '[Cs2 Au2 Se2]'
_cell_volume [236.7244]
_cell_formula_units_Z [2]
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
[
  Cs  Cs0  2  0.4008  0.2500  0.1667  1.0
  Au  Au1  2  0.0000  0.0000  0.5000  1.0
  Se  Se2  2  0.1521  0.7500  0.2820  1.0
]