data_[Li12Pr8Mg20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pr  1.1300  1.8500  1.0600
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [10.9927]
_cell_length_b [14.9479]
_cell_length_c [5.9755]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Li3Pr2Mg5]
_chemical_formula_sum '[Li12 Pr8 Mg20]'
_cell_volume [981.8750]
_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
[
  Li  Li0  8  0.0780  0.3385  0.0000  1
  Li  Li1  4  0.0000  0.0000  0.2500  1
  Pr  Pr2  8  0.2119  0.3362  0.5000  1
  Mg  Mg3  8  0.0000  0.1818  0.2500  1
  Mg  Mg4  8  0.2106  0.0578  0.5000  1
  Mg  Mg5  4  0.0000  0.5000  0.2500  1
]