# generated using pymatgen
data_Cd2(Ni7B2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.41610203
_cell_length_b   7.41610190
_cell_length_c   7.41610203
_cell_angle_alpha   120.00000059
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000059
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2(Ni7B2)3
_chemical_formula_sum   'Cd2 Ni21 B6'
_cell_volume   288.41116959
_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  1  0.75000200  0.50000100  0.25000100  1.0
  Cd  Cd1  1  0.25000100  0.50000100  0.75000200  1.0
  Ni  Ni2  1  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni3  1  0.33594551  0.00000000  0.00000000  1.0
  Ni  Ni4  1  0.66405649  0.00000000  0.00000000  1.0
  Ni  Ni5  1  1.00000000  0.33594551  1.00000000  1.0
  Ni  Ni6  1  0.33594551  0.33594551  1.00000000  1.0
  Ni  Ni7  1  0.00000000  0.66405649  0.00000000  1.0
  Ni  Ni8  1  0.66405649  0.66405649  0.00000000  1.0
  Ni  Ni9  1  0.38643371  0.77286742  0.15929913  1.0
  Ni  Ni10  1  0.00000000  0.00000000  0.33594551  1.0
  Ni  Ni11  1  1.00000000  0.33594551  0.33594551  1.0
  Ni  Ni12  1  0.33594551  0.33594551  0.33594551  1.0
  Ni  Ni13  1  0.61356829  0.22713558  0.38643371  1.0
  Ni  Ni14  1  0.15929913  0.77286742  0.38643371  1.0
  Ni  Ni15  1  0.61356829  0.77286742  0.38643371  1.0
  Ni  Ni16  1  0.84070187  0.22713558  0.61356729  1.0
  Ni  Ni17  1  0.38643371  0.22713558  0.61356829  1.0
  Ni  Ni18  1  0.38643371  0.77286742  0.61356829  1.0
  Ni  Ni19  1  0.00000000  0.00000000  0.66405649  1.0
  Ni  Ni20  1  0.00000000  0.66405649  0.66405649  1.0
  Ni  Ni21  1  0.66405649  0.66405649  0.66405649  1.0
  Ni  Ni22  1  0.61356729  0.22713558  0.84070187  1.0
  B  B23  1  0.27308570  0.00000000  0.27308570  1.0
  B  B24  1  0.27308570  0.54617240  0.27308570  1.0
  B  B25  1  0.72691430  0.00000000  0.27308770  1.0
  B  B26  1  0.27308770  0.00000000  0.72691430  1.0
  B  B27  1  0.72691430  0.00000000  0.72691430  1.0
  B  B28  1  0.72691430  0.45382660  0.72691430  1.0