data_[La12Ge4Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.9198]
_cell_length_b [13.5789]
_cell_length_c [7.8282]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5514]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La3GeTe2]
_chemical_formula_sum '[La12 Ge4 Te8]'
_cell_volume [793.3249]
_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  0.2239  0.4248  0.4973  1.0
  La  La1  4  0.2500  0.2500  0.0000  1.0
  Ge  Ge2  4  0.0000  0.4124  0.7500  1.0
  Te  Te3  4  0.0000  0.0821  0.7500  1.0
  Te  Te4  4  0.0000  0.2434  0.2500  1.0
]