data_[Li2Sm4Y6Se12]
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
  Y  1.2200  1.8000  1.0400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.9426]
_cell_length_b [4.0950]
_cell_length_c [8.1959]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6141]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiSm2(YSe2)3]
_chemical_formula_sum '[Li2 Sm4 Y6 Se12]'
_cell_volume [585.2785]
_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  0.5000  0.0000  1.0
  Sm  Sm1  4  0.1693  0.0000  0.3392  1.0
  Y  Y2  4  0.1679  0.0000  0.8310  1.0
  Y  Y3  2  0.0000  0.5000  0.5000  1.0
  Se  Se4  4  0.0008  0.0000  0.7558  1.0
  Se  Se5  4  0.1630  0.5000  0.5880  1.0
  Se  Se6  4  0.1635  0.5000  0.0766  1.0
]