data_[Li2Pr6Se8]
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 [Cmmm]
_cell_length_a [8.4375]
_cell_length_b [11.9259]
_cell_length_c [4.2222]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [LiPr3Se4]
_chemical_formula_sum '[Li2 Pr6 Se8]'
_cell_volume [424.8582]
_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  0.0000  0.0000  0.5000  1
  Pr  Pr1  4  0.2500  0.2500  0.0000  1
  Pr  Pr2  2  0.0000  0.5000  0.5000  1
  Se  Se3  4  0.0000  0.2429  0.5000  1
  Se  Se4  4  0.2399  0.0000  0.0000  1
]