# generated using pymatgen
data_LuFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06400003
_cell_length_b   5.06400003
_cell_length_c   8.24055300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.98829415
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuFe2
_chemical_formula_sum   'Lu4 Fe8'
_cell_volume   183.03140096
_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  0.66669800  0.33330200  0.56228500  1.0
  Lu  Lu1  1  0.33330200  0.66669800  0.43771500  1.0
  Lu  Lu2  1  0.33330200  0.66669800  0.06228500  1.0
  Lu  Lu3  1  0.66669800  0.33330200  0.93771500  1.0
  Fe  Fe4  1  0.00000000  0.00000000  0.50000000  1.0
  Fe  Fe5  1  0.00000000  0.00000000  0.00000000  1.0
  Fe  Fe6  1  0.16691400  0.33380100  0.75000000  1.0
  Fe  Fe7  1  0.16689300  0.83310700  0.75000000  1.0
  Fe  Fe8  1  0.66619900  0.83308600  0.75000000  1.0
  Fe  Fe9  1  0.83308600  0.66619900  0.25000000  1.0
  Fe  Fe10  1  0.83310700  0.16689300  0.25000000  1.0
  Fe  Fe11  1  0.33380100  0.16691400  0.25000000  1.0