data_[Li2Sm2Sc2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sm  1.1700  1.8500  1.2290
  Sc  1.3600  1.6000  0.8850
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.1032]
_cell_length_b [3.9298]
_cell_length_c [8.7150]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3308]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiSmScSe3]
_chemical_formula_sum '[Li2 Sm2 Sc2 Se6]'
_cell_volume [268.8820]
_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  0.0908  0.7500  0.5895  1
  Sm  Sm1  2  0.1961  0.7500  0.2332  1
  Sc  Sc2  2  0.3355  0.2500  0.8439  1
  Se  Se3  2  0.0993  0.7500  0.8738  1
  Se  Se4  2  0.2343  0.2500  0.5068  1
  Se  Se5  2  0.4392  0.2500  0.1690  1
]