data_[Pr4Tl4Cu4Cl20]
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/c]
_cell_length_a [8.9320]
_cell_length_b [12.0914]
_cell_length_c [10.2851]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.2040]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [PrTlCuCl5]
_chemical_formula_sum '[Pr4 Tl4 Cu4 Cl20]'
_cell_volume [1020.9350]
_cell_formula_units_Z [4]
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  4  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  4  0.0000  0.3576  0.7500  1.0
  Cu  Cu2  4  0.0000  0.3104  0.2500  1.0
  Cl  Cl3  8  0.1141  0.2029  0.1249  1.0
  Cl  Cl4  8  0.1810  0.4297  0.4232  1.0
  Cl  Cl5  4  0.0000  0.0878  0.7500  1.0
]