data_[Ti2Tl2Pd2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Tl  1.6200  1.9000  1.3325
  Pd  2.2000  1.4000  0.8462
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.9298]
_cell_length_b [3.5735]
_cell_length_c [9.7435]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4579]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TiTlPdS3]
_chemical_formula_sum '[Ti2 Tl2 Pd2 S6]'
_cell_volume [256.9681]
_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
[
  Ti  Ti0  2  0.1969  0.7500  0.6561  1
  Tl  Tl1  2  0.2307  0.2500  0.2243  1
  Pd  Pd2  2  0.4042  0.2500  0.8881  1
  S  S3  2  0.0416  0.7500  0.3816  1
  S  S4  2  0.2277  0.7500  0.9135  1
  S  S5  2  0.3954  0.2500  0.6341  1
]