data_[Zr2Tl2Ag2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Tl  1.6200  1.9000  1.3325
  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 [8.4689]
_cell_length_b [3.8457]
_cell_length_c [9.3916]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3328]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ZrTlAgS3]
_chemical_formula_sum '[Zr2 Tl2 Ag2 S6]'
_cell_volume [290.3487]
_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
[
  Zr  Zr0  2  0.3154  0.7500  0.8450  1.0
  Tl  Tl1  2  0.2363  0.2500  0.2677  1.0
  Ag  Ag2  2  0.0685  0.2500  0.6137  1.0
  S  S3  2  0.1285  0.2500  0.8912  1.0
  S  S4  2  0.2530  0.7500  0.5626  1.0
  S  S5  2  0.4657  0.7500  0.1411  1.0
]