# generated using pymatgen
data_ZrCd(Ni7B2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.41996600
_cell_length_b   7.41996609
_cell_length_c   7.41996716
_cell_angle_alpha   59.99999957
_cell_angle_beta   59.99999913
_cell_angle_gamma   59.99999986
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCd(Ni7B2)3
_chemical_formula_sum   'Zr1 Cd1 Ni21 B6'
_cell_volume   288.86226783
_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
  Zr  Zr0  1  0.25000000  0.25000000  0.25000000  1.0
  Cd  Cd1  1  0.75000000  0.75000000  0.75000000  1.0
  Ni  Ni2  1  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni3  1  0.61342266  0.61342266  0.15973302  1.0
  Ni  Ni4  1  0.61342266  0.15973302  0.61342266  1.0
  Ni  Ni5  1  0.15973302  0.61342266  0.61342266  1.0
  Ni  Ni6  1  0.61342266  0.61342266  0.61342266  1.0
  Ni  Ni7  1  0.38581359  0.38581359  0.84255922  1.0
  Ni  Ni8  1  0.38581359  0.84255922  0.38581359  1.0
  Ni  Ni9  1  0.84255922  0.38581359  0.38581359  1.0
  Ni  Ni10  1  0.38581359  0.38581359  0.38581359  1.0
  Ni  Ni11  1  0.00149341  0.00149341  0.33587361  1.0
  Ni  Ni12  1  0.66113957  0.00149341  0.33587361  1.0
  Ni  Ni13  1  0.00149341  0.66113957  0.33587361  1.0
  Ni  Ni14  1  0.66113957  0.33587361  0.00149341  1.0
  Ni  Ni15  1  0.00149341  0.33587361  0.00149341  1.0
  Ni  Ni16  1  0.00149341  0.33587361  0.66113957  1.0
  Ni  Ni17  1  0.33587361  0.66113957  0.00149341  1.0
  Ni  Ni18  1  0.33587361  0.00149341  0.66113957  1.0
  Ni  Ni19  1  0.33587361  0.00149341  0.00149341  1.0
  Ni  Ni20  1  0.00149341  0.00149341  0.66113957  1.0
  Ni  Ni21  1  0.00149341  0.66113957  0.00149341  1.0
  Ni  Ni22  1  0.66113957  0.00149341  0.00149341  1.0
  B  B23  1  0.72898718  0.72898718  0.27101282  1.0
  B  B24  1  0.27101282  0.72898718  0.27101282  1.0
  B  B25  1  0.72898718  0.27101282  0.27101282  1.0
  B  B26  1  0.27101282  0.27101282  0.72898718  1.0
  B  B27  1  0.72898718  0.27101282  0.72898718  1.0
  B  B28  1  0.27101282  0.72898718  0.72898718  1.0