# generated using pymatgen
data_LuB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95838420
_cell_length_b   7.01047624
_cell_length_c   7.01047624
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuB4
_chemical_formula_sum   'Lu4 B16'
_cell_volume   194.54182600
_cell_formula_units_Z   4
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  0.31926684  0.81926684  1.0
  Lu  Lu1  1  0.00000000  0.81926684  0.68073316  1.0
  Lu  Lu2  1  0.00000000  0.68073316  0.18073316  1.0
  Lu  Lu3  1  0.00000000  0.18073316  0.31926684  1.0
  B  B4  1  0.50000000  0.82310786  0.96163372  1.0
  B  B5  1  0.50000000  0.41332236  0.08667764  1.0
  B  B6  1  0.50000000  0.53836628  0.67689214  1.0
  B  B7  1  0.50000000  0.91332236  0.41332236  1.0
  B  B8  1  0.50000000  0.32310786  0.53836628  1.0
  B  B9  1  0.50000000  0.08667764  0.58667764  1.0
  B  B10  1  0.50000000  0.67689214  0.46163372  1.0
  B  B11  1  0.50000000  0.03836628  0.82310786  1.0
  B  B12  1  0.20193604  -0.00000000  -0.00000000  1.0
  B  B13  1  0.20193604  0.50000000  0.50000000  1.0
  B  B14  1  0.79806396  -0.00000000  -0.00000000  1.0
  B  B15  1  0.50000000  0.96163372  0.17689214  1.0
  B  B16  1  0.50000000  0.17689214  0.03836628  1.0
  B  B17  1  0.50000000  0.58667764  0.91332236  1.0
  B  B18  1  0.79806396  0.50000000  0.50000000  1.0
  B  B19  1  0.50000000  0.46163372  0.32310786  1.0