data_[Pr12Mg4Tl4]
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 [Cmcm]
_cell_length_a [5.4384]
_cell_length_b [21.3735]
_cell_length_c [5.4294]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pr3MgTl]
_chemical_formula_sum '[Pr12 Mg4 Tl4]'
_cell_volume [631.1061]
_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  0.0000  0.0585  0.2500  1
  Pr  Pr1  4  0.0000  0.2502  0.2500  1
  Pr  Pr2  4  0.0000  0.4403  0.2500  1
  Mg  Mg3  4  0.0000  0.1534  0.7500  1
  Tl  Tl4  4  0.0000  0.3449  0.7500  1
]