data_[Ta8Cd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.5636]
_cell_length_b [5.5636]
_cell_length_c [9.0652]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [Ta2Cd]
_chemical_formula_sum '[Ta8 Cd4]'
_cell_volume [243.0105]
_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
[
  Ta  Ta0  6  0.1659  0.3317  0.7500  1
  Ta  Ta1  2  0.0000  0.0000  0.0000  1
  Cd  Cd2  4  0.3333  0.6667  0.0643  1
]