data_[Tl15In1Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0327]
_cell_length_b [5.0327]
_cell_length_c [25.3212]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Tl15InTe4]
_chemical_formula_sum '[Tl15 In1 Te4]'
_cell_volume [641.3360]
_cell_formula_units_Z [1]
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  0.5000  0.0940  1
  Tl  Tl1  4  0.0000  0.5000  0.2965  1
  Tl  Tl2  2  0.0000  0.5000  0.5000  1
  Tl  Tl3  2  0.5000  0.5000  0.1940  1
  Tl  Tl4  2  0.5000  0.5000  0.3982  1
  Tl  Tl5  1  0.5000  0.5000  0.0000  1
  In  In6  1  0.0000  0.0000  0.0000  1
  Te  Te7  2  0.0000  0.0000  0.2000  1
  Te  Te8  2  0.0000  0.0000  0.4005  1
]