# generated using pymatgen
data_Sc3Cd3(Ni7B2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88882263
_cell_length_b   4.88882252
_cell_length_c   13.78388858
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001410
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3Cd3(Ni7B2)2
_chemical_formula_sum   'Sc3 Cd3 Ni14 B4'
_cell_volume   285.30598122
_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
  Sc  Sc0  1  0.66666700  0.33333300  0.74492292  1.0
  Sc  Sc1  1  0.66666700  0.33333300  0.96844488  1.0
  Sc  Sc2  1  0.33333300  0.66666700  0.24969706  1.0
  Cd  Cd3  1  0.66666700  0.33333300  0.53068106  1.0
  Cd  Cd4  1  0.33333300  0.66666700  0.46798421  1.0
  Cd  Cd5  1  0.33333300  0.66666700  0.03501408  1.0
  Ni  Ni6  1  0.16585423  0.33170745  0.64748810  1.0
  Ni  Ni7  1  0.33103105  0.16551602  0.35222229  1.0
  Ni  Ni8  1  0.33193016  0.16596558  0.14674761  1.0
  Ni  Ni9  1  0.16614578  0.83385422  0.85354869  1.0
  Ni  Ni10  1  0.83448398  0.66896895  0.35222229  1.0
  Ni  Ni11  1  0.83403442  0.16596558  0.14674761  1.0
  Ni  Ni12  1  0.66829255  0.83414577  0.64748810  1.0
  Ni  Ni13  1  0.66770844  0.83385422  0.85354869  1.0
  Ni  Ni14  1  0.16585423  0.83414577  0.64748810  1.0
  Ni  Ni15  1  0.83403442  0.66806984  0.14674761  1.0
  Ni  Ni16  1  0.00000000  0.00000000  0.00029496  1.0
  Ni  Ni17  1  0.16614578  0.33229156  0.85354869  1.0
  Ni  Ni18  1  0.83448398  0.16551602  0.35222229  1.0
  Ni  Ni19  1  0.00000000  0.00000000  0.50027747  1.0
  B  B20  1  0.66666700  0.33333300  0.24943789  1.0
  B  B21  1  0.00000000  0.00000000  0.75139369  1.0
  B  B22  1  0.33333300  0.66666700  0.75103835  1.0
  B  B23  1  0.00000000  0.00000000  0.25079636  1.0