# generated using pymatgen
data_LuFe4B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.00117500
_cell_length_b   5.00117560
_cell_length_c   7.00789100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000266
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuFe4B
_chemical_formula_sum   'Lu2 Fe8 B2'
_cell_volume   151.79662415
_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  0.00000000  0.00000000  0.00000000  1.0
  Lu  Lu1  1  0.00000000  0.00000000  0.50000000  1.0
  Fe  Fe2  1  0.66666700  0.33333300  0.00000000  1.0
  Fe  Fe3  1  0.33333300  0.66666700  0.00000000  1.0
  Fe  Fe4  1  0.50000000  0.50000000  0.71423200  1.0
  Fe  Fe5  1  0.50000000  0.00000000  0.71423200  1.0
  Fe  Fe6  1  0.00000000  0.50000000  0.71423200  1.0
  Fe  Fe7  1  0.50000000  0.50000000  0.28576800  1.0
  Fe  Fe8  1  0.50000000  0.00000000  0.28576800  1.0
  Fe  Fe9  1  0.00000000  0.50000000  0.28576800  1.0
  B  B10  1  0.66666700  0.33333300  0.50000000  1.0
  B  B11  1  0.33333300  0.66666700  0.50000000  1.0