data_[Tl6Cr2Sb4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cr  1.6600  1.4000  0.9400
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.5369]
_cell_length_b [13.0623]
_cell_length_c [8.3876]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4317]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl3Cr(SbTe3)2]
_chemical_formula_sum '[Tl6 Cr2 Sb4 Te12]'
_cell_volume [787.8311]
_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
[
  Tl  Tl0  4  0.0000  0.1760  0.5000  1.0
  Tl  Tl1  2  0.0000  0.5000  0.5000  1.0
  Cr  Cr2  2  0.0000  0.0000  0.0000  1.0
  Sb  Sb3  4  0.0000  0.3341  0.0000  1.0
  Te  Te4  8  0.2182  0.8483  0.2017  1.0
  Te  Te5  4  0.2342  0.0000  0.7937  1.0
]