data_[Pr4Tl2Cu2O12]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.7169]
_cell_length_b [5.6945]
_cell_length_c [10.0548]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.5598]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pr2TlCuO6]
_chemical_formula_sum '[Pr4 Tl2 Cu2 O12]'
_cell_volume [295.3041]
_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  4  0.3014  0.5570  0.7673  1.0
  Tl  Tl1  2  0.0000  0.0000  0.5000  1.0
  Cu  Cu2  2  0.5000  0.0000  0.0000  1.0
  O  O3  4  0.0851  0.5593  0.2205  1.0
  O  O4  4  0.3386  0.1903  0.0883  1.0
  O  O5  4  0.3871  0.7334  0.0656  1.0
]