data_[Rb2Zr2Au2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [8.6851]
_cell_length_b [3.8415]
_cell_length_c [9.9585]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.8636]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbZrAuS3]
_chemical_formula_sum '[Rb2 Zr2 Au2 S6]'
_cell_volume [303.8482]
_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
[
  Rb  Rb0  2  0.2595  0.7500  0.2739  1.0
  Zr  Zr1  2  0.3123  0.2500  0.8329  1.0
  Au  Au2  2  0.0225  0.7500  0.6112  1.0
  S  S3  2  0.1274  0.7500  0.8729  1.0
  S  S4  2  0.2699  0.2500  0.5692  1.0
  S  S5  2  0.4677  0.2500  0.1279  1.0
]