data_[Pr4Tl5Zn2]
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
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.2975]
_cell_length_b [3.8583]
_cell_length_c [9.7933]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2295]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pr4Tl5Zn2]
_chemical_formula_sum '[Pr4 Tl5 Zn2]'
_cell_volume [313.5235]
_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  0.2108  0.5000  0.8568  1.0
  Pr  Pr1  2  0.2408  0.5000  0.3969  1.0
  Tl  Tl2  2  0.1267  0.0000  0.1325  1.0
  Tl  Tl3  2  0.4294  0.0000  0.6517  1.0
  Tl  Tl4  1  0.5000  0.0000  0.0000  1.0
  Zn  Zn5  2  0.0725  0.0000  0.6172  1.0
]