data_[Ce12In4]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.9230]
_cell_length_b [8.8017]
_cell_length_c [5.9185]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8565]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3In]
_chemical_formula_sum '[Ce12 In4]'
_cell_volume [449.2886]
_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
[
  Ce  Ce0  8  0.1519  0.3072  0.3025  1.0
  Ce  Ce1  4  0.0206  0.0000  0.7265  1.0
  In  In2  4  0.1715  0.5000  0.8104  1.0
]