data_[Pr2Mg3Tl3]
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 [Pmmm]
_cell_length_a [4.8375]
_cell_length_b [4.9312]
_cell_length_c [9.1301]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Pr2(MgTl)3]
_chemical_formula_sum '[Pr2 Mg3 Tl3]'
_cell_volume [217.7937]
_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  0.2524  1.0
  Mg  Mg1  2  0.5000  0.5000  0.2475  1.0
  Mg  Mg2  1  0.0000  0.5000  0.0000  1.0
  Tl  Tl3  1  0.0000  0.5000  0.5000  1.0
  Tl  Tl4  1  0.5000  0.0000  0.0000  1.0
  Tl  Tl5  1  0.5000  0.0000  0.5000  1.0
]