data_[Li2Sm6Y4Te12]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.1896]
_cell_length_b [4.3746]
_cell_length_c [8.7967]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0009]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiSm3(YTe3)2]
_chemical_formula_sum '[Li2 Sm6 Y4 Te12]'
_cell_volume [716.5160]
_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  0.1687  0.0000  0.8315  1.0
  Sm  Sm2  2  0.0000  0.5000  0.5000  1.0
  Y  Y3  4  0.1681  0.0000  0.3373  1.0
  Te  Te4  4  0.0015  0.0000  0.2380  1.0
  Te  Te5  4  0.1607  0.5000  0.0833  1.0
  Te  Te6  4  0.1669  0.5000  0.5794  1.0
]