data_[La10Sb8H2]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [I4]
_cell_length_a [10.1462]
_cell_length_b [10.1462]
_cell_length_c [6.4794]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [La5Sb4H]
_chemical_formula_sum '[La10 Sb8 H2]'
_cell_volume [667.0247]
_cell_formula_units_Z [2]
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  0.1018  0.6989  1.0000  1
  La  La1  2  0.0000  0.0000  0.4460  1
  Sb  Sb2  8  0.0979  0.7015  0.5002  1
  H  H3  2  0.0000  0.0000  0.0635  1
]