data_[La12Sb4Te24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [12.3873]
_cell_length_b [15.5100]
_cell_length_c [7.7963]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La3SbTe6]
_chemical_formula_sum '[La12 Sb4 Te24]'
_cell_volume [1497.8656]
_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  0.1817  0.0987  0.5130  1.0
  La  La1  4  0.0000  0.4040  0.6233  1.0
  Sb  Sb2  4  0.0000  0.1750  0.9967  1.0
  Te  Te3  8  0.1643  0.4657  0.3196  1.0
  Te  Te4  8  0.1677  0.2609  0.8041  1.0
  Te  Te5  4  0.0000  0.0064  0.7575  1.0
  Te  Te6  4  0.0000  0.2342  0.3636  1.0
]