data_[Ce2Tl2In2S8]
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
  In  1.7800  1.5500  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.8608]
_cell_length_b [6.8160]
_cell_length_c [9.0468]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3264]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CeTlInS4]
_chemical_formula_sum '[Ce2 Tl2 In2 S8]'
_cell_volume [399.2166]
_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  0.2177  0.7500  0.5518  1.0
  Tl  Tl1  2  0.2842  0.7500  0.0571  1.0
  In  In2  2  0.2356  0.2500  0.3246  1.0
  S  S3  4  0.0241  0.0141  0.7006  1.0
  S  S4  2  0.4569  0.2500  0.1624  1.0
  S  S5  2  0.4903  0.2500  0.5939  1.0
]