data_[Ce2Tl2Ag2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  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 [8.7100]
_cell_length_b [4.1647]
_cell_length_c [9.2110]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6953]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CeTlAgS3]
_chemical_formula_sum '[Ce2 Tl2 Ag2 S6]'
_cell_volume [323.1947]
_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
[
  Ce  Ce0  2  0.3228  0.2500  0.8407  1
  Tl  Tl1  2  0.2068  0.7500  0.2472  1
  Ag  Ag2  2  0.0790  0.7500  0.6000  1
  S  S3  2  0.1328  0.7500  0.8824  1
  S  S4  2  0.2301  0.2500  0.5393  1
  S  S5  2  0.4602  0.2500  0.1504  1
]