data_[Cd1In5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.4216]
_cell_length_b [5.6817]
_cell_length_c [8.3642]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.8500]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [CdIn5]
_chemical_formula_sum '[Cd1 In5]'
_cell_volume [162.2377]
_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
[
  Cd  Cd0  1  0.2109  0.5000  0.4369  1.0
  In  In1  1  0.0177  0.0000  0.0061  1.0
  In  In2  1  0.3403  0.0000  0.6744  1.0
  In  In3  1  0.5504  0.5000  0.1073  1.0
  In  In4  1  0.6941  0.0000  0.3442  1.0
  In  In5  1  0.8532  0.5000  0.7645  1.0
]