data_[Ce2Cd3In1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.3608]
_cell_length_b [5.1021]
_cell_length_c [8.8369]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Ce2Cd3In]
_chemical_formula_sum '[Ce2 Cd3 In1]'
_cell_volume [151.5239]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.4993  1.0
  Ce  Ce1  1  0.0000  0.5000  0.0009  1.0
  Cd  Cd2  1  0.5000  0.0000  0.1632  1.0
  Cd  Cd3  1  0.5000  0.0000  0.8323  1.0
  Cd  Cd4  1  0.5000  0.5000  0.6703  1.0
  In  In5  1  0.5000  0.5000  0.3340  1.0
]