data_[Na1Cd3In7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [6.8435]
_cell_length_b [6.8435]
_cell_length_c [7.3211]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [NaCd3In7]
_chemical_formula_sum '[Na1 Cd3 In7]'
_cell_volume [296.9370]
_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
[
  Na  Na0  1  0.3333  0.6667  0.4399  1.0
  Cd  Cd1  3  0.0023  0.5011  0.7821  1.0
  In  In2  3  0.1560  0.3119  0.0944  1.0
  In  In3  3  0.3128  0.1564  0.4707  1.0
  In  In4  1  0.6667  0.3333  0.1337  1.0
]