data_[Li4Pr2Sn6Se12]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1462]
_cell_length_b [12.4053]
_cell_length_c [7.3925]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7526]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Pr(SnSe2)3]
_chemical_formula_sum '[Li4 Pr2 Sn6 Se12]'
_cell_volume [620.5642]
_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  0.3293  0.0000  1.0
  Pr  Pr1  2  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  4  0.0000  0.1643  0.5000  1.0
  Sn  Sn3  2  0.0000  0.5000  0.5000  1.0
  Se  Se4  8  0.2500  0.3312  0.7585  1.0
  Se  Se5  4  0.2443  0.5000  0.2453  1.0
]