data_[Pr4Er1Tl2]
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 [P-1]
_cell_length_a [4.8638]
_cell_length_b [6.0435]
_cell_length_c [8.3946]
_cell_angle_alpha [96.9052]
_cell_angle_beta [96.6231]
_cell_angle_gamma [105.0497]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Pr4ErTl2]
_chemical_formula_sum '[Pr4 Er1 Tl2]'
_cell_volume [233.7793]
_cell_formula_units_Z [1]
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  0.2991  0.9309  0.6760  1
  Pr  Pr1  1  0.5000  0.5000  0.0000  1
  Pr  Pr2  1  0.5000  0.5000  0.5000  1
  Er  Er3  1  0.0000  0.0000  0.0000  1
  Tl  Tl4  2  0.0533  0.6662  0.2721  1
]