data_[La12Ge4Te24]
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 [Cmc2_1]
_cell_length_a [12.5029]
_cell_length_b [15.4984]
_cell_length_c [7.6126]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La3GeTe6]
_chemical_formula_sum '[La12 Ge4 Te24]'
_cell_volume [1475.1271]
_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  0.1821  0.0973  0.5171  1
  La  La1  4  0.0000  0.4016  0.6170  1
  Ge  Ge2  4  0.0000  0.1990  0.9726  1
  Te  Te3  8  0.1617  0.4666  0.3175  1
  Te  Te4  8  0.1714  0.2641  0.7955  1
  Te  Te5  4  0.0000  0.0346  0.8234  1
  Te  Te6  4  0.0000  0.2208  0.3414  1
]