data_[Pr16Mg2Tl4]
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 [18.7009]
_cell_length_b [5.4279]
_cell_length_c [7.3792]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9420]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr8MgTl2]
_chemical_formula_sum '[Pr16 Mg2 Tl4]'
_cell_volume [737.7968]
_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  0.0316  0.0000  0.7409  1.0
  Pr  Pr1  4  0.0922  0.5000  0.4486  1.0
  Pr  Pr2  4  0.1641  0.5000  0.9342  1.0
  Pr  Pr3  4  0.1801  0.0000  0.2706  1.0
  Mg  Mg4  2  0.0000  0.5000  0.0000  1.0
  Tl  Tl5  4  0.2080  0.0000  0.7137  1.0
]