data_[Pr8Mg8Tl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.5629]
_cell_length_b [5.2194]
_cell_length_c [9.9566]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9885]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Mg2Tl]
_chemical_formula_sum '[Pr8 Mg8 Tl4]'
_cell_volume [571.5204]
_cell_formula_units_Z [4]
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  0.0482  0.0000  0.3483  1
  Pr  Pr1  4  0.1712  0.0000  0.0642  1
  Mg  Mg2  4  0.0159  0.5000  0.8601  1
  Mg  Mg3  4  0.1344  0.5000  0.5833  1
  Tl  Tl4  4  0.2448  0.5000  0.2998  1
]