data_[La6Sm2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sm  1.1700  1.8500  1.2290
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.8341]
_cell_length_b [4.5431]
_cell_length_c [13.2808]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7658]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La3SmTe6]
_chemical_formula_sum '[La6 Sm2 Te12]'
_cell_volume [733.1834]
_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
[
  La  La0  2  0.1582  0.7500  0.0778  1.0
  La  La1  2  0.3165  0.2500  0.4947  1.0
  La  La2  2  0.4228  0.7500  0.8303  1.0
  Sm  Sm3  2  0.0418  0.7500  0.6896  1.0
  Te  Te4  2  0.0831  0.2500  0.8939  1.0
  Te  Te5  2  0.1074  0.7500  0.4646  1.0
  Te  Te6  2  0.1851  0.2500  0.2491  1.0
  Te  Te7  2  0.2427  0.2500  0.7145  1.0
  Te  Te8  2  0.4007  0.7500  0.0664  1.0
  Te  Te9  2  0.4844  0.7500  0.6187  1.0
]