# generated using pymatgen
data_Mg3Cu(Ni3B)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91560529
_cell_length_b   4.91560671
_cell_length_c   7.30068717
_cell_angle_alpha   109.66021950
_cell_angle_beta   109.66022137
_cell_angle_gamma   60.07574976
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Cu(Ni3B)2
_chemical_formula_sum   'Mg3 Cu1 Ni6 B2'
_cell_volume   140.87155677
_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
  Mg  Mg0  1  0.35710894  0.35710894  0.07019151  1.0
  Mg  Mg1  1  0.50000000  0.50000000  0.50000100  1.0
  Mg  Mg2  1  0.64289106  0.64289106  0.92980849  1.0
  Cu  Cu3  1  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni4  1  0.93157418  0.93157418  0.29612941  1.0
  Ni  Ni5  1  0.93151089  0.43214060  0.29602707  1.0
  Ni  Ni6  1  0.43214060  0.93151089  0.29602707  1.0
  Ni  Ni7  1  0.56785840  0.06848811  0.70397293  1.0
  Ni  Ni8  1  0.06848811  0.56785840  0.70397293  1.0
  Ni  Ni9  1  0.06842482  0.06842482  0.70387059  1.0
  B  B10  1  0.83319425  0.83319425  0.50018636  1.0
  B  B11  1  0.16680475  0.16680475  0.49981364  1.0