data_[Li1Sc1Sn2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sc  1.3600  1.6000  0.8850
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.0128]
_cell_length_b [4.0791]
_cell_length_c [7.1867]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4594]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [LiSc(SnSe2)2]
_chemical_formula_sum '[Li1 Sc1 Sn2 Se4]'
_cell_volume [195.0029]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.0000  1.0
  Sc  Sc1  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  1  0.0000  0.5000  0.5000  1.0
  Sn  Sn3  1  0.5000  0.0000  0.5000  1.0
  Se  Se4  2  0.2369  0.5000  0.2216  1.0
  Se  Se5  2  0.2495  0.0000  0.7760  1.0
]