data_[Pr6Tm8Tl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Tm  1.2500  1.7500  1.0950
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [11.2895]
_cell_length_b [7.1349]
_cell_length_c [6.2319]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Pr3Tm4Tl]
_chemical_formula_sum '[Pr6 Tm8 Tl2]'
_cell_volume [501.9805]
_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  4  0.2343  0.6167  0.9763  1.0
  Pr  Pr1  2  0.0000  0.6295  0.6203  1.0
  Tm  Tm2  4  0.2414  0.1202  0.9858  1.0
  Tm  Tm3  2  0.0000  0.1263  0.6495  1.0
  Tm  Tm4  2  0.0000  0.8880  0.1652  1.0
  Tl  Tl5  2  0.0000  0.3513  0.1562  1.0
]