data_[K2Zr2Au2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [8.4280]
_cell_length_b [3.9812]
_cell_length_c [10.1578]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7726]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KZrAuSe3]
_chemical_formula_sum '[K2 Zr2 Au2 Se6]'
_cell_volume [318.6747]
_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
[
  K  K0  2  0.2535  0.2500  0.2191  1.0
  Zr  Zr1  2  0.1914  0.7500  0.6672  1.0
  Au  Au2  2  0.4193  0.2500  0.8904  1.0
  Se  Se3  2  0.0493  0.7500  0.3712  1.0
  Se  Se4  2  0.2253  0.7500  0.9390  1.0
  Se  Se5  2  0.3993  0.2500  0.6318  1.0
]