data_[Tl24Te10Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.9675]
_cell_length_b [8.3995]
_cell_length_c [8.6563]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.9427]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl12Te5Se2]
_chemical_formula_sum '[Tl24 Te10 Se4]'
_cell_volume [1375.8358]
_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  8  0.1494  0.2580  0.4884  1
  Tl  Tl1  8  0.1686  0.2394  0.0714  1
  Tl  Tl2  4  0.0044  0.5000  0.7330  1
  Tl  Tl3  4  0.0603  0.0000  0.8221  1
  Te  Te4  4  0.1755  0.5000  0.7768  1
  Te  Te5  4  0.2288  0.0000  0.7203  1
  Te  Te6  2  0.0000  0.0000  0.5000  1
  Se  Se7  4  0.0000  0.2619  0.0000  1
]