data_[La8Y8Sb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Y  1.2200  1.8000  1.0400
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.6829]
_cell_length_b [4.2839]
_cell_length_c [11.1764]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2907]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaYSb]
_chemical_formula_sum '[La8 Y8 Sb8]'
_cell_volume [798.7402]
_cell_formula_units_Z [8]
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  0.0324  0.0000  0.3722  1
  La  La1  4  0.0993  0.5000  0.8624  1
  Y  Y2  4  0.1943  0.0000  0.0875  1
  Y  Y3  4  0.2457  0.0000  0.6568  1
  Sb  Sb4  4  0.0874  0.5000  0.1789  1
  Sb  Sb5  4  0.1237  0.5000  0.5606  1
]