data_[La8Sm8Te8]
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 [C2/m]
_cell_length_a [17.3008]
_cell_length_b [4.1230]
_cell_length_c [11.3895]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.6413]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaSmTe]
_chemical_formula_sum '[La8 Sm8 Te8]'
_cell_volume [810.7890]
_cell_formula_units_Z [8]
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  4  0.0299  0.0000  0.3560  1
  La  La1  4  0.1102  0.5000  0.8511  1
  Sm  Sm2  4  0.1950  0.0000  0.0870  1
  Sm  Sm3  4  0.2498  0.5000  0.3500  1
  Te  Te4  4  0.0773  0.5000  0.1613  1
  Te  Te5  4  0.1155  0.5000  0.5529  1
]