data_[La4Zr12Sb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Zr  1.3300  1.5500  0.8600
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.6111]
_cell_length_b [4.1936]
_cell_length_c [9.2547]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.2427]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaZr3Sb2]
_chemical_formula_sum '[La4 Zr12 Sb8]'
_cell_volume [642.1845]
_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  0.1346  0.0000  0.0639  1
  Zr  Zr1  4  0.0534  0.0000  0.4159  1
  Zr  Zr2  4  0.0917  0.5000  0.6895  1
  Zr  Zr3  4  0.1853  0.5000  0.4614  1
  Sb  Sb4  4  0.0224  0.5000  0.1736  1
  Sb  Sb5  4  0.2159  0.0000  0.7307  1
]