data_[Li4Pr8Sn8]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.6685]
_cell_length_b [4.7288]
_cell_length_c [11.3195]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.8181]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(PrSn)2]
_chemical_formula_sum '[Li4 Pr8 Sn8]'
_cell_volume [552.4010]
_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  4  0.2240  0.5000  0.3593  1.0
  Pr  Pr1  4  0.0158  0.0000  0.3352  1.0
  Pr  Pr2  4  0.1851  0.0000  0.0962  1.0
  Sn  Sn3  4  0.0176  0.5000  0.8777  1.0
  Sn  Sn4  4  0.1435  0.5000  0.5769  1.0
]