data_[Cs2Zr2Au2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Zr  1.3300  1.5500  0.8600
  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 [9.0422]
_cell_length_b [4.0038]
_cell_length_c [10.5505]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.8147]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsZrAuSe3]
_chemical_formula_sum '[Cs2 Zr2 Au2 Se6]'
_cell_volume [346.6945]
_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  0.2518  0.2500  0.2781  1
  Zr  Zr1  2  0.3082  0.7500  0.8356  1
  Au  Au2  2  0.0762  0.2500  0.6112  1
  Se  Se3  2  0.1165  0.2500  0.8674  1
  Se  Se4  2  0.2591  0.7500  0.5689  1
  Se  Se5  2  0.4659  0.7500  0.1269  1
]