data_[Li4Pr6Zn18]
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
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.5604]
_cell_length_b [8.8189]
_cell_length_c [13.6227]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Li2(PrZn3)3]
_chemical_formula_sum '[Li4 Pr6 Zn18]'
_cell_volume [547.8740]
_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  4  0.0000  0.1866  0.5000  1
  Pr  Pr1  4  0.0000  0.0000  0.2931  1
  Pr  Pr2  2  0.0000  0.0000  0.0000  1
  Zn  Zn3  8  0.0000  0.2857  0.1348  1
  Zn  Zn4  8  0.0000  0.3559  0.3399  1
  Zn  Zn5  2  0.0000  0.5000  0.0000  1
]