# generated using pymatgen
data_Lu4NiB13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.21999500
_cell_length_b   7.21999500
_cell_length_c   6.75411600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu4NiB13
_chemical_formula_sum   'Lu8 Ni2 B26'
_cell_volume   352.08077285
_cell_formula_units_Z   2
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  0.68486700  0.17986800  0.50000000  1.0
  Lu  Lu1  1  0.31513300  0.82013200  0.50000000  1.0
  Lu  Lu2  1  0.18486700  0.32013200  0.00000000  1.0
  Lu  Lu3  1  0.81513300  0.67986800  0.00000000  1.0
  Lu  Lu4  1  0.82013200  0.68486700  0.50000000  1.0
  Lu  Lu5  1  0.17986800  0.31513300  0.50000000  1.0
  Lu  Lu6  1  0.67986800  0.18486700  0.00000000  1.0
  Lu  Lu7  1  0.32013200  0.81513300  0.00000000  1.0
  Ni  Ni8  1  0.50000000  0.50000000  0.50000000  1.0
  Ni  Ni9  1  0.00000000  0.00000000  0.00000000  1.0
  B  B10  1  0.50000000  0.50000000  0.00000000  1.0
  B  B11  1  0.00000000  0.00000000  0.50000000  1.0
  B  B12  1  0.90916200  0.40916200  0.25000000  1.0
  B  B13  1  0.09083800  0.59083800  0.25000000  1.0
  B  B14  1  0.40916200  0.09083800  0.75000000  1.0
  B  B15  1  0.59083800  0.90916200  0.75000000  1.0
  B  B16  1  0.59083800  0.90916200  0.25000000  1.0
  B  B17  1  0.40916200  0.09083800  0.25000000  1.0
  B  B18  1  0.90916200  0.40916200  0.75000000  1.0
  B  B19  1  0.09083800  0.59083800  0.75000000  1.0
  B  B20  1  0.53955900  0.67145900  0.24341000  1.0
  B  B21  1  0.46044100  0.32854100  0.24341000  1.0
  B  B22  1  0.03955900  0.82854100  0.74341000  1.0
  B  B23  1  0.96044100  0.17145900  0.74341000  1.0
  B  B24  1  0.32854100  0.53955900  0.24341000  1.0
  B  B25  1  0.67145900  0.46044100  0.24341000  1.0
  B  B26  1  0.17145900  0.03955900  0.74341000  1.0
  B  B27  1  0.82854100  0.96044100  0.74341000  1.0
  B  B28  1  0.46044100  0.32854100  0.75659000  1.0
  B  B29  1  0.53955900  0.67145900  0.75659000  1.0
  B  B30  1  0.96044100  0.17145900  0.25659000  1.0
  B  B31  1  0.03955900  0.82854100  0.25659000  1.0
  B  B32  1  0.67145900  0.46044100  0.75659000  1.0
  B  B33  1  0.32854100  0.53955900  0.75659000  1.0
  B  B34  1  0.82854100  0.96044100  0.25659000  1.0
  B  B35  1  0.17145900  0.03955900  0.25659000  1.0