# generated using pymatgen
data_Nd3Cu7(Ni3B)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09757270
_cell_length_b   5.09781593
_cell_length_c   10.87788179
_cell_angle_alpha   89.99461479
_cell_angle_beta   90.01075997
_cell_angle_gamma   119.99840263
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd3Cu7(Ni3B)2
_chemical_formula_sum   'Nd3 Cu7 Ni6 B2'
_cell_volume   244.81021087
_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
  Nd  Nd0  1  0.00003189  0.00000000  0.00009415  1.0
  Nd  Nd1  1  0.99997697  0.00000000  0.31599212  1.0
  Nd  Nd2  1  0.99979163  1.00000000  0.68408832  1.0
  Cu  Cu3  1  0.49996085  0.00000000  0.49994097  1.0
  Cu  Cu4  1  0.49996787  0.50000330  0.49993965  1.0
  Cu  Cu5  1  0.99996457  0.49999670  0.49993965  1.0
  Cu  Cu6  1  0.33332002  0.66665682  0.31465745  1.0
  Cu  Cu7  1  0.66666319  0.33334318  0.31465745  1.0
  Cu  Cu8  1  0.66658890  0.33334550  0.68527744  1.0
  Cu  Cu9  1  0.33324340  0.66665450  0.68527744  1.0
  Ni  Ni10  1  0.50023210  0.00000000  0.12888732  1.0
  Ni  Ni11  1  0.50020657  0.50001343  0.12887688  1.0
  Ni  Ni12  1  0.00019414  0.49998657  0.12887688  1.0
  Ni  Ni13  1  0.49988048  1.00000000  0.87116078  1.0
  Ni  Ni14  1  0.49988444  0.49998700  0.87116983  1.0
  Ni  Ni15  1  0.99989844  0.50001300  0.87116983  1.0
  B  B16  1  0.33338341  0.66667228  0.99999492  1.0
  B  B17  1  0.66671012  0.33332772  0.99999492  1.0