# generated using pymatgen
data_Lu3Cu6Ni7B2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92365034
_cell_length_b   4.91738497
_cell_length_c   10.81625933
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.95789678
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu3Cu6Ni7B2
_chemical_formula_sum   'Lu3 Cu6 Ni7 B2'
_cell_volume   226.88889171
_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
  Lu  Lu0  1  0.00000000  0.00000000  0.00000000  1.0
  Lu  Lu1  1  0.00000000  0.00000000  0.67885375  1.0
  Lu  Lu2  1  0.00000000  0.00000000  0.32114625  1.0
  Cu  Cu3  1  0.50000000  0.50000000  0.50000000  1.0
  Cu  Cu4  1  0.50000000  0.00000000  0.50000000  1.0
  Cu  Cu5  1  0.67049094  0.33524547  0.68382712  1.0
  Cu  Cu6  1  0.32950906  0.66475453  0.68382712  1.0
  Cu  Cu7  1  0.32950906  0.66475453  0.31617288  1.0
  Cu  Cu8  1  0.67049094  0.33524547  0.31617288  1.0
  Ni  Ni9  1  0.00000000  0.50000000  0.50000000  1.0
  Ni  Ni10  1  0.50000000  0.50000000  0.86914589  1.0
  Ni  Ni11  1  0.50000000  0.00000000  0.86914589  1.0
  Ni  Ni12  1  0.00000000  0.50000000  0.86903309  1.0
  Ni  Ni13  1  0.50000000  0.50000000  0.13085411  1.0
  Ni  Ni14  1  0.50000000  0.00000000  0.13085411  1.0
  Ni  Ni15  1  0.00000000  0.50000000  0.13096691  1.0
  B  B16  1  0.66711718  0.33355859  0.00000000  1.0
  B  B17  1  0.33288282  0.66644141  0.00000000  1.0