data_[Ce4Y4In4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Y  1.2200  1.8000  1.0400
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6712]
_cell_length_b [4.5605]
_cell_length_c [7.3065]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3582]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeYIn]
_chemical_formula_sum '[Ce4 Y4 In4]'
_cell_volume [335.4717]
_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  4  0.1360  0.0000  0.0663  1.0
  Y  Y1  4  0.1651  0.0000  0.5901  1.0
  In  In2  4  0.0012  0.5000  0.7301  1.0
]