data_[La6Ce2Sm4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ce  1.1200  1.8500  1.0800
  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 [19.8244]
_cell_length_b [4.5145]
_cell_length_c [9.1185]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2161]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3Ce(SmTe3)2]
_chemical_formula_sum '[La6 Ce2 Sm4 Te12]'
_cell_volume [794.4700]
_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  4  0.1656  0.0000  0.8331  1.0
  La  La1  2  0.0000  0.5000  0.5000  1.0
  Ce  Ce2  2  0.0000  0.5000  0.0000  1.0
  Sm  Sm3  4  0.1667  0.0000  0.3325  1.0
  Te  Te4  4  0.0027  0.0000  0.2477  1.0
  Te  Te5  4  0.1661  0.5000  0.0891  1.0
  Te  Te6  4  0.1689  0.5000  0.5779  1.0
]