data_[La16Ce2In10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ce  1.1200  1.8500  1.0800
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [9.6017]
_cell_length_b [9.6017]
_cell_length_c [9.9064]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [La8CeIn5]
_chemical_formula_sum '[La16 Ce2 In10]'
_cell_volume [913.3079]
_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  0.0703  0.6701  0.5501  1
  La  La1  8  0.0851  0.7988  0.1996  1
  Ce  Ce2  2  0.0000  0.5000  0.2500  1
  In  In3  8  0.1168  0.7628  0.8700  1
  In  In4  2  0.0000  0.0000  0.5000  1
]