data_[Cd2Ni30]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [4.2744]
_cell_length_b [33.7069]
_cell_length_c [4.2744]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8695]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [CdNi15]
_chemical_formula_sum '[Cd2 Ni30]'
_cell_volume [582.7566]
_cell_formula_units_Z [2]
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  2  0.0000  0.2081  0.7500  1
  Ni  Ni1  2  0.0000  0.2599  0.2500  1
  Ni  Ni2  2  0.0000  0.2968  0.7500  1
  Ni  Ni3  2  0.0000  0.3342  0.2500  1
  Ni  Ni4  2  0.0000  0.3712  0.7500  1
  Ni  Ni5  2  0.0000  0.4080  0.2500  1
  Ni  Ni6  2  0.0000  0.4447  0.7500  1
  Ni  Ni7  2  0.0000  0.4817  0.2500  1
  Ni  Ni8  2  0.5000  0.2265  0.2500  1
  Ni  Ni9  2  0.5000  0.2599  0.7500  1
  Ni  Ni10  2  0.5000  0.2979  0.2500  1
  Ni  Ni11  2  0.5000  0.3342  0.7500  1
  Ni  Ni12  2  0.5000  0.3712  0.2500  1
  Ni  Ni13  2  0.5000  0.4080  0.7500  1
  Ni  Ni14  2  0.5000  0.4448  0.2500  1
  Ni  Ni15  2  0.5000  0.4817  0.7500  1
]