data_[Cd9In7]
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 [P6mm]
_cell_length_a [7.9690]
_cell_length_b [7.9690]
_cell_length_c [21.1111]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [Cd9In7]
_chemical_formula_sum '[Cd9 In7]'
_cell_volume [1161.0419]
_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  6  0.2108  0.4216  0.3943  1
  Cd  Cd1  3  0.0000  0.5000  0.5074  1
  In  In2  6  0.2074  0.4148  0.6288  1
  In  In3  1  0.0000  0.0000  0.3393  1
]