data_[Pr2Tl2Cu2Te6]
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
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.0057]
_cell_length_b [4.2997]
_cell_length_c [11.6112]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.1810]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PrTlCuTe3]
_chemical_formula_sum '[Pr2 Tl2 Cu2 Te6]'
_cell_volume [419.2332]
_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  0.2987  0.2500  0.8494  1.0
  Tl  Tl1  2  0.2956  0.7500  0.3198  1.0
  Cu  Cu2  2  0.0785  0.7500  0.5952  1.0
  Te  Te3  2  0.0247  0.7500  0.8036  1.0
  Te  Te4  2  0.2294  0.2500  0.5539  1.0
  Te  Te5  2  0.4334  0.2500  0.1457  1.0
]