data_[La4Sn4Sb12]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [14.9249]
_cell_length_b [6.2210]
_cell_length_c [6.4322]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [LaSnSb3]
_chemical_formula_sum '[La4 Sn4 Sb12]'
_cell_volume [597.2202]
_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  4  0.3238  0.0022  0.7500  1.0
  Sn  Sn1  4  0.1095  0.2500  0.0000  1.0
  Sb  Sb2  4  0.1006  0.7121  0.2500  1.0
  Sb  Sb3  4  0.2680  0.5037  0.7500  1.0
  Sb  Sb4  4  0.5000  0.7500  0.0000  1.0
]