data_[Li2Pr4Se8]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.2337]
_cell_length_b [5.8740]
_cell_length_c [8.5453]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3196]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Li(PrSe2)2]
_chemical_formula_sum '[Li2 Pr4 Se8]'
_cell_volume [346.6360]
_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  2  0.2295  0.2500  0.1821  1.0
  Pr  Pr1  2  0.2300  0.7500  0.4358  1.0
  Pr  Pr2  2  0.2419  0.7500  0.9326  1.0
  Se  Se3  4  0.4881  0.0073  0.7454  1.0
  Se  Se4  2  0.0650  0.2500  0.8913  1.0
  Se  Se5  2  0.0680  0.2500  0.3922  1.0
]