data_[Ce10In2Sb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  In  1.7800  1.5500  0.9400
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [10.0589]
_cell_length_b [10.0589]
_cell_length_c [6.3557]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Ce5InSb4]
_chemical_formula_sum '[Ce10 In2 Sb8]'
_cell_volume [643.0815]
_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
[
  Ce  Ce0  8  0.1022  0.6959  0.0000  1
  Ce  Ce1  2  0.0000  0.0000  0.5000  1
  In  In2  2  0.0000  0.0000  0.0000  1
  Sb  Sb3  8  0.1005  0.7000  0.5000  1
]