data_[Pr2Tl4In2Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  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 [I-42m]
_cell_length_a [8.5340]
_cell_length_b [8.5340]
_cell_length_c [7.7287]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [PrTl2InTe4]
_chemical_formula_sum '[Pr2 Tl4 In2 Te8]'
_cell_volume [562.8685]
_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
[
  Pr  Pr0  2  0.0000  0.0000  0.5000  1.0
  Tl  Tl1  4  0.0000  0.5000  0.0000  1.0
  In  In2  2  0.0000  0.0000  0.0000  1.0
  Te  Te3  8  0.1882  0.1882  0.7768  1.0
]