data_[Pr4Ho1Tl5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ho  1.2300  1.7500  1.0410
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8457]
_cell_length_b [3.8457]
_cell_length_c [20.0723]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Pr4HoTl5]
_chemical_formula_sum '[Pr4 Ho1 Tl5]'
_cell_volume [296.8648]
_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  0.0000  0.0000  0.1928  1.0
  Pr  Pr1  2  0.0000  0.0000  0.3974  1.0
  Ho  Ho2  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl3  2  0.5000  0.5000  0.0905  1.0
  Tl  Tl4  2  0.5000  0.5000  0.2949  1.0
  Tl  Tl5  1  0.5000  0.5000  0.5000  1.0
]