data_[La12Sn4Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.9978]
_cell_length_b [13.8389]
_cell_length_c [8.0053]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4976]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La3SnTe2]
_chemical_formula_sum '[La12 Sn4 Te8]'
_cell_volume [835.2182]
_cell_formula_units_Z [4]
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  8  0.2418  0.4194  0.9991  1.0
  La  La1  4  0.2500  0.2500  0.5000  1.0
  Sn  Sn2  4  0.0000  0.4143  0.2500  1.0
  Te  Te3  4  0.0000  0.0829  0.2500  1.0
  Te  Te4  4  0.0000  0.2479  0.7500  1.0
]