# generated using pymatgen
data_Lu(FeB)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.43845201
_cell_length_b   3.43845205
_cell_length_c   5.24913037
_cell_angle_alpha   109.11867841
_cell_angle_beta   109.11867486
_cell_angle_gamma   89.99998078
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu(FeB)2
_chemical_formula_sum   'Lu1 Fe2 B2'
_cell_volume   55.00137870
_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  0.00000000  -0.00000000  -0.00000000  1.0
  Fe  Fe1  1  0.25000000  0.75000000  0.50000000  1.0
  Fe  Fe2  1  0.75000000  0.25000000  0.50000000  1.0
  B  B3  1  0.60629702  0.60629702  0.21259405  1.0
  B  B4  1  0.39370298  0.39370298  0.78740595  1.0