data_[Sr12Cd42]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.0379]
_cell_length_b [6.0379]
_cell_length_c [47.1914]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sr2Cd7]
_chemical_formula_sum '[Sr12 Cd42]'
_cell_volume [1489.9425]
_cell_formula_units_Z [6]
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
[
  Sr  Sr0  6  0.0000  0.0000  0.0526  1.0
  Sr  Sr1  6  0.0000  0.0000  0.1503  1.0
  Cd  Cd2  18  0.0024  0.5012  0.8890  1.0
  Cd  Cd3  9  0.0000  0.5000  0.0000  1.0
  Cd  Cd4  6  0.0000  0.0000  0.2783  1.0
  Cd  Cd5  6  0.0000  0.0000  0.3894  1.0
  Cd  Cd6  3  -0.0000  -0.0000  0.5000  1.0
]