data_[Li16Pr2Mg8]
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 [I4/mmm]
_cell_length_a [9.9136]
_cell_length_b [9.9136]
_cell_length_c [5.9864]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Li8PrMg4]
_chemical_formula_sum '[Li16 Pr2 Mg8]'
_cell_volume [588.3330]
_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
[
  Li  Li0  8  0.0000  0.2113  0.5000  1.0
  Li  Li1  8  0.0000  0.3539  0.0000  1.0
  Pr  Pr2  2  0.0000  0.0000  0.0000  1.0
  Mg  Mg3  8  0.2500  0.2500  0.2500  1.0
]