data_[Pr2Tl4Cu2Cl12]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.3427]
_cell_length_b [7.1844]
_cell_length_c [6.6085]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.5739]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrTl2CuCl6]
_chemical_formula_sum '[Pr2 Tl4 Cu2 Cl12]'
_cell_volume [628.7844]
_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  0.5000  0.0000  1.0
  Tl  Tl1  4  0.2436  0.0000  0.1965  1.0
  Cu  Cu2  2  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  8  0.0661  0.2338  0.7796  1.0
  Cl  Cl4  4  0.1976  0.5000  0.2942  1.0
]