data_[Ta2Tl6Cr4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  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 [6.6971]
_cell_length_b [11.9729]
_cell_length_c [8.7345]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.9086]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TaTl3(CrTe3)2]
_chemical_formula_sum '[Ta2 Tl6 Cr4 Te12]'
_cell_volume [699.9836]
_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
[
  Ta  Ta0  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  4  0.0000  0.3334  0.5000  1.0
  Tl  Tl2  2  0.0000  0.0000  0.5000  1.0
  Cr  Cr3  4  0.0000  0.3348  0.0000  1.0
  Te  Te4  8  0.1575  0.1706  0.8160  1.0
  Te  Te5  4  0.1460  0.5000  0.8142  1.0
]