data_[Li2Sm2Fe2Te6]
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
  Fe  1.8300  1.4000  0.8525
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.5121]
_cell_length_b [4.1602]
_cell_length_c [9.9946]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.3648]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiSmFeTe3]
_chemical_formula_sum '[Li2 Sm2 Fe2 Te6]'
_cell_volume [346.9900]
_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  0.1998  0.2500  0.7491  1
  Sm  Sm1  2  0.3251  0.7500  0.3447  1
  Fe  Fe2  2  0.0642  0.2500  0.0753  1
  Te  Te3  2  0.0538  0.2500  0.3381  1
  Te  Te4  2  0.2447  0.7500  0.0200  1
  Te  Te5  2  0.4087  0.7500  0.6658  1
]