data_[La16Si4Sb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Si  1.9000  1.1000  0.5400
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.9784]
_cell_length_b [14.3890]
_cell_length_c [6.2225]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.7155]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La4SiSb]
_chemical_formula_sum '[La16 Si4 Sb4]'
_cell_volume [741.5295]
_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  0.1049  0.1816  0.0654  1.0
  La  La1  8  0.1991  0.4224  0.3383  1.0
  Si  Si2  4  0.0000  0.0009  0.7500  1.0
  Sb  Sb3  4  0.0000  0.3777  0.7500  1.0
]