data_[K2Zr2Au2S6]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.5335]
_cell_length_b [3.7625]
_cell_length_c [9.6431]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2263]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KZrAuS3]
_chemical_formula_sum '[K2 Zr2 Au2 S6]'
_cell_volume [292.3484]
_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  0.2122  0.7500  0.2311  1.0
  Zr  Zr1  2  0.3203  0.2500  0.8433  1.0
  Au  Au2  2  0.1184  0.7500  0.5453  1.0
  S  S3  2  0.1232  0.7500  0.8593  1.0
  S  S4  2  0.3098  0.2500  0.5745  1.0
  S  S5  2  0.4549  0.2500  0.1304  1.0
]