data_[Li1Ac6Pr2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ac  1.1000  1.9500  1.2600
  Pr  1.1300  1.8500  1.0600
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.9005]
_cell_length_b [3.9005]
_cell_length_c [28.5406]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Li(Ac3Pr)2]
_chemical_formula_sum '[Li1 Ac6 Pr2]'
_cell_volume [376.0488]
_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
[
  Li  Li0  1  0.0000  0.0000  0.0000  1
  Ac  Ac1  2  0.0000  0.0000  0.2145  1
  Ac  Ac2  2  0.0000  0.0000  0.4329  1
  Ac  Ac3  2  0.3333  0.6667  0.8996  1
  Pr  Pr4  2  0.3333  0.6667  0.3261  1
]