# generated using pymatgen
data_CdNi21SnB6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.41656596
_cell_length_b   7.41656615
_cell_length_c   7.41656649
_cell_angle_alpha   60.00000282
_cell_angle_beta   60.00000199
_cell_angle_gamma   60.00000215
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdNi21SnB6
_chemical_formula_sum   'Cd1 Ni21 Sn1 B6'
_cell_volume   288.46535278
_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  0.75000000  0.75000000  0.75000000  1.0
  Ni  Ni1  1  0.66419216  0.99973477  0.99973477  1.0
  Ni  Ni2  1  0.16261072  0.61246343  0.61246343  1.0
  Ni  Ni3  1  0.61246343  0.61246343  0.61246343  1.0
  Ni  Ni4  1  0.61246343  0.61246343  0.16261072  1.0
  Ni  Ni5  1  0.38443562  0.84669313  0.38443562  1.0
  Ni  Ni6  1  0.66419216  0.33633830  0.99973477  1.0
  Ni  Ni7  1  0.99973477  0.33633830  0.66419216  1.0
  Ni  Ni8  1  0.99973477  0.99973477  0.33633830  1.0
  Ni  Ni9  1  0.33633830  0.99973477  0.99973477  1.0
  Ni  Ni10  1  0.99973477  0.99973477  0.66419216  1.0
  Ni  Ni11  1  0.99973477  0.33633830  0.99973477  1.0
  Ni  Ni12  1  0.66419216  0.99973477  0.33633830  1.0
  Ni  Ni13  1  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni14  1  0.99973477  0.66419216  0.99973477  1.0
  Ni  Ni15  1  0.33633830  0.99973477  0.66419216  1.0
  Ni  Ni16  1  0.99973477  0.66419216  0.33633830  1.0
  Ni  Ni17  1  0.33633830  0.66419216  0.99973477  1.0
  Ni  Ni18  1  0.84669313  0.38443562  0.38443562  1.0
  Ni  Ni19  1  0.38443562  0.38443562  0.84669313  1.0
  Ni  Ni20  1  0.61246343  0.16261072  0.61246343  1.0
  Ni  Ni21  1  0.38443562  0.38443562  0.38443562  1.0
  Sn  Sn22  1  0.25000000  0.25000000  0.25000000  1.0
  B  B23  1  0.72716530  0.72716530  0.27283470  1.0
  B  B24  1  0.72716530  0.27283470  0.72716530  1.0
  B  B25  1  0.27283470  0.72716530  0.27283470  1.0
  B  B26  1  0.72716530  0.27283470  0.27283470  1.0
  B  B27  1  0.27283470  0.72716530  0.72716530  1.0
  B  B28  1  0.27283470  0.27283470  0.72716530  1.0