data_[Pr6Er12Tl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Er  1.2400  1.7500  1.0300
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.9881]
_cell_length_b [3.5639]
_cell_length_c [14.5146]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2354]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pr3Er6Tl]
_chemical_formula_sum '[Pr6 Er12 Tl2]'
_cell_volume [634.3397]
_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  0.0332  0.7500  0.9061  1.0
  Pr  Pr1  2  0.1223  0.7500  0.4978  1.0
  Pr  Pr2  2  0.4897  0.7500  0.1045  1.0
  Er  Er3  2  0.1173  0.2500  0.7099  1.0
  Er  Er4  2  0.1706  0.7500  0.2802  1.0
  Er  Er5  2  0.2492  0.2500  0.1058  1.0
  Er  Er6  2  0.2836  0.7500  0.8993  1.0
  Er  Er7  2  0.3548  0.7500  0.6888  1.0
  Er  Er8  2  0.3632  0.2500  0.4771  1.0
  Tl  Tl9  2  0.4254  0.7500  0.3097  1.0
]