# generated using pymatgen
data_Lu8BeNiB28
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.11437721
_cell_length_b   7.11437721
_cell_length_c   7.30110777
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu8BeNiB28
_chemical_formula_sum   'Lu8 Be1 Ni1 B28'
_cell_volume   369.54091942
_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  0.19274303  0.32898906  0.00000000  1.0
  Lu  Lu1  1  0.67101094  0.19274303  0.00000000  1.0
  Lu  Lu2  1  0.32898906  0.80725697  0.00000000  1.0
  Lu  Lu3  1  0.69472627  0.16637493  0.50000000  1.0
  Lu  Lu4  1  0.30527373  0.83362507  0.50000000  1.0
  Lu  Lu5  1  0.80725697  0.67101094  0.00000000  1.0
  Lu  Lu6  1  0.83362507  0.69472627  0.50000000  1.0
  Lu  Lu7  1  0.16637493  0.30527373  0.50000000  1.0
  Be  Be8  1  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni9  1  0.50000000  0.50000000  0.50000000  1.0
  B  B10  1  0.17491956  0.03880335  0.22707450  1.0
  B  B11  1  0.96119665  0.17491956  0.22707450  1.0
  B  B12  1  0.03880335  0.82508044  0.22707450  1.0
  B  B13  1  0.67563266  0.46132699  0.26974572  1.0
  B  B14  1  0.32436734  0.53867301  0.26974572  1.0
  B  B15  1  0.82508044  0.96119665  0.22707450  1.0
  B  B16  1  0.53867301  0.67563266  0.26974572  1.0
  B  B17  1  0.46132699  0.32436734  0.26974572  1.0
  B  B18  1  0.82508044  0.96119665  0.77292550  1.0
  B  B19  1  0.03880335  0.82508044  0.77292550  1.0
  B  B20  1  0.96119665  0.17491956  0.77292550  1.0
  B  B21  1  0.32436734  0.53867301  0.73025428  1.0
  B  B22  1  0.67563266  0.46132699  0.73025428  1.0
  B  B23  1  0.17491956  0.03880335  0.77292550  1.0
  B  B24  1  0.46132699  0.32436734  0.73025428  1.0
  B  B25  1  0.53867301  0.67563266  0.73025428  1.0
  B  B26  1  0.08776506  0.58745275  0.24867037  1.0
  B  B27  1  0.41254725  0.08776506  0.24867037  1.0
  B  B28  1  0.58745275  0.91223494  0.24867037  1.0
  B  B29  1  0.91223494  0.41254725  0.24867037  1.0
  B  B30  1  0.91223494  0.41254725  0.75132963  1.0
  B  B31  1  0.58745275  0.91223494  0.75132963  1.0
  B  B32  1  0.41254725  0.08776506  0.75132963  1.0
  B  B33  1  0.08776506  0.58745275  0.75132963  1.0
  B  B34  1  0.00000000  0.00000000  0.38749730  1.0
  B  B35  1  0.50000000  0.50000000  0.11103153  1.0
  B  B36  1  0.00000000  0.00000000  0.61250270  1.0
  B  B37  1  0.50000000  0.50000000  0.88896847  1.0