data_[Tm2Tl6Cr4S12]
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
  Cr  1.6600  1.4000  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.4624]
_cell_length_b [11.1563]
_cell_length_c [7.7620]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1304]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TmTl3(CrS3)2]
_chemical_formula_sum '[Tm2 Tl6 Cr4 S12]'
_cell_volume [537.5791]
_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  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  4  0.0000  0.1587  0.5000  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  Cr  Cr3  4  0.0000  0.3335  0.0000  1.0
  S  S4  8  0.2419  0.1803  0.1837  1.0
  S  S5  4  0.1981  0.5000  0.1767  1.0
]