data_[Pr2Er12Tl4]
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 [C2/m]
_cell_length_a [12.6839]
_cell_length_b [3.7013]
_cell_length_c [12.1043]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5555]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr(Er3Tl)2]
_chemical_formula_sum '[Pr2 Er12 Tl4]'
_cell_volume [541.7983]
_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  0.0000  0.0000  1.0
  Er  Er1  4  0.0113  0.0000  0.3506  1.0
  Er  Er2  4  0.1880  0.5000  0.8735  1.0
  Er  Er3  4  0.1897  0.5000  0.5807  1.0
  Tl  Tl4  4  0.1423  0.5000  0.2200  1.0
]