data_[Ce1Pr1Mg2Tl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  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 [P3m1]
_cell_length_a [4.9920]
_cell_length_b [4.9920]
_cell_length_c [7.7711]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [CePr(MgTl)2]
_chemical_formula_sum '[Ce1 Pr1 Mg2 Tl2]'
_cell_volume [167.7087]
_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
[
  Ce  Ce0  1  0.0000  0.0000  0.2532  1
  Pr  Pr1  1  0.0000  0.0000  0.7534  1
  Mg  Mg2  1  0.3333  0.6667  0.0231  1
  Mg  Mg3  1  0.6667  0.3333  0.5284  1
  Tl  Tl4  1  0.3333  0.6667  0.4734  1
  Tl  Tl5  1  0.6667  0.3333  0.9686  1
]