data_[Cs2Zr2Ag2S6]
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
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.9407]
_cell_length_b [3.9216]
_cell_length_c [10.0121]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.3818]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsZrAgS3]
_chemical_formula_sum '[Cs2 Zr2 Ag2 S6]'
_cell_volume [322.2211]
_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  0.2408  0.7500  0.2668  1.0
  Zr  Zr1  2  0.3164  0.2500  0.8457  1.0
  Ag  Ag2  2  0.0762  0.7500  0.6091  1.0
  S  S3  2  0.1348  0.7500  0.8755  1.0
  S  S4  2  0.2474  0.2500  0.5739  1.0
  S  S5  2  0.4764  0.2500  0.1324  1.0
]