# generated using pymatgen
data_LuB2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.68904771
_cell_length_b   6.68904771
_cell_length_c   7.13910137
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuB2C
_chemical_formula_sum   'Lu8 B16 C8'
_cell_volume   319.42737744
_cell_formula_units_Z   8
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  0.30825723  0.80825723  0.75000000  1.0
  Lu  Lu1  1  0.19174277  0.30825723  0.25000000  1.0
  Lu  Lu2  1  0.80825723  0.69174277  0.25000000  1.0
  Lu  Lu3  1  0.69174277  0.19174277  0.75000000  1.0
  Lu  Lu4  1  0.69174277  0.19174277  0.25000000  1.0
  Lu  Lu5  1  0.80825723  0.69174277  0.75000000  1.0
  Lu  Lu6  1  0.19174277  0.30825723  0.75000000  1.0
  Lu  Lu7  1  0.30825723  0.80825723  0.25000000  1.0
  B  B8  1  0.15320604  0.03390858  0.00000000  1.0
  B  B9  1  0.53390858  0.65320604  0.50000000  1.0
  B  B10  1  0.84679396  0.96609142  -0.00000000  1.0
  B  B11  1  0.34679396  0.53390858  0.00000000  1.0
  B  B12  1  0.65320604  0.46609142  -0.00000000  1.0
  B  B13  1  0.03390858  0.84679396  0.50000000  1.0
  B  B14  1  0.96609142  0.15320604  0.50000000  1.0
  B  B15  1  0.46609142  0.34679396  0.50000000  1.0
  B  B16  1  0.09709358  0.59243359  0.00000000  1.0
  B  B17  1  0.40756641  0.09709358  0.50000000  1.0
  B  B18  1  0.59243359  0.90290642  0.50000000  1.0
  B  B19  1  0.59709358  0.90756641  -0.00000000  1.0
  B  B20  1  0.40290642  0.09243359  0.00000000  1.0
  B  B21  1  0.90290642  0.40756641  -0.00000000  1.0
  B  B22  1  0.09243359  0.59709358  0.50000000  1.0
  B  B23  1  0.90756641  0.40290642  0.50000000  1.0
  C  C24  1  0.17816320  0.04009845  0.50000000  1.0
  C  C25  1  0.67816320  0.45990155  0.50000000  1.0
  C  C26  1  0.32183680  0.54009845  0.50000000  1.0
  C  C27  1  0.95990155  0.17816320  0.00000000  1.0
  C  C28  1  0.04009845  0.82183680  -0.00000000  1.0
  C  C29  1  0.54009845  0.67816320  0.00000000  1.0
  C  C30  1  0.82183680  0.95990155  0.50000000  1.0
  C  C31  1  0.45990155  0.32183680  -0.00000000  1.0