data_[Ti2Tl4Cr4Te12]
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
  Cr  1.6600  1.4000  0.9400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9149]
_cell_length_b [11.9205]
_cell_length_c [8.6304]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2767]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TiTl2(CrTe3)2]
_chemical_formula_sum '[Ti2 Tl4 Cr4 Te12]'
_cell_volume [686.2562]
_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  0.0000  0.0000  0.5000  1.0
  Tl  Tl1  4  0.0000  0.1623  0.0000  1.0
  Cr  Cr2  4  0.0000  0.3307  0.5000  1.0
  Te  Te3  8  0.2319  0.1682  0.6889  1.0
  Te  Te4  4  0.2216  0.5000  0.6870  1.0
]