data_[Tl6Cr4Ag2Te12]
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
  Ag  1.9300  1.6000  1.0867
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3021]
_cell_length_b [12.6017]
_cell_length_c [7.9193]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2403]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl3Cr2AgTe6]
_chemical_formula_sum '[Tl6 Cr4 Ag2 Te12]'
_cell_volume [695.9792]
_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  0.1608  0.5000  1.0
  Tl  Tl1  2  0.0000  0.5000  0.5000  1.0
  Cr  Cr2  4  0.0000  0.3311  0.0000  1.0
  Ag  Ag3  2  0.0000  0.0000  0.0000  1.0
  Te  Te4  8  0.2437  0.1777  0.1952  1.0
  Te  Te5  4  0.2097  0.5000  0.1832  1.0
]