# generated using pymatgen
data_LuB2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.57654557
_cell_length_b   6.65531474
_cell_length_c   6.77345949
_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   'Lu4 B8 C4'
_cell_volume   161.22890314
_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  0.50000000  0.81102409  0.19357897  1.0
  Lu  Lu1  1  0.50000000  0.18897591  0.80642103  1.0
  Lu  Lu2  1  0.50000000  0.31102409  0.30642103  1.0
  Lu  Lu3  1  0.50000000  0.68897591  0.69357897  1.0
  B  B4  1  0.00000000  0.59654666  0.40730726  1.0
  B  B5  1  -0.00000000  0.40345334  0.59269274  1.0
  B  B6  1  0.00000000  0.09654666  0.09269274  1.0
  B  B7  1  0.00000000  0.90345334  0.90730726  1.0
  B  B8  1  -0.00000000  0.84686333  0.46764092  1.0
  B  B9  1  0.00000000  0.15313667  0.53235908  1.0
  B  B10  1  -0.00000000  0.34686333  0.03235908  1.0
  B  B11  1  -0.00000000  0.65313667  0.96764092  1.0
  C  C12  1  -0.00000000  0.54117642  0.17842468  1.0
  C  C13  1  -0.00000000  0.45882358  0.82157532  1.0
  C  C14  1  0.00000000  0.04117642  0.32157532  1.0
  C  C15  1  -0.00000000  0.95882358  0.67842468  1.0