data_[Tm2Tl2Pd2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  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 [7.9968]
_cell_length_b [3.9604]
_cell_length_c [10.0568]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5376]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TmTlPdS3]
_chemical_formula_sum '[Tm2 Tl2 Pd2 S6]'
_cell_volume [301.9783]
_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
[
  Tm  Tm0  2  0.3125  0.2500  0.8595  1
  Tl  Tl1  2  0.2579  0.7500  0.2807  1
  Pd  Pd2  2  0.0874  0.7500  0.5894  1
  S  S3  2  0.0756  0.7500  0.8332  1
  S  S4  2  0.2339  0.2500  0.5694  1
  S  S5  2  0.4498  0.2500  0.1366  1
]