# generated using pymatgen
data_La(Fe2B)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07628228
_cell_length_b   6.07628228
_cell_length_c   6.07628240
_cell_angle_alpha   104.26129916
_cell_angle_beta   104.26129916
_cell_angle_gamma   104.26131026
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La(Fe2B)6
_chemical_formula_sum   'La1 Fe12 B6'
_cell_volume   199.15402035
_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
  La  La0  1  0.00000000  0.00000000  0.00000000  1.0
  Fe  Fe1  1  0.86690200  0.13309800  0.50000000  1.0
  Fe  Fe2  1  0.13309800  0.50000000  0.86690200  1.0
  Fe  Fe3  1  0.50000000  0.86690200  0.13309800  1.0
  Fe  Fe4  1  0.86690200  0.50000000  0.13309800  1.0
  Fe  Fe5  1  0.50000000  0.13309800  0.86690200  1.0
  Fe  Fe6  1  0.13309800  0.86690200  0.50000000  1.0
  Fe  Fe7  1  0.81110200  0.54078500  0.54078500  1.0
  Fe  Fe8  1  0.54078500  0.54078500  0.81110200  1.0
  Fe  Fe9  1  0.54078500  0.81110200  0.54078500  1.0
  Fe  Fe10  1  0.18889800  0.45921500  0.45921500  1.0
  Fe  Fe11  1  0.45921500  0.45921500  0.18889800  1.0
  Fe  Fe12  1  0.45921500  0.18889800  0.45921500  1.0
  B  B13  1  0.32125200  0.77178300  0.77178300  1.0
  B  B14  1  0.77178300  0.77178300  0.32125200  1.0
  B  B15  1  0.77178300  0.32125200  0.77178300  1.0
  B  B16  1  0.67874800  0.22821700  0.22821700  1.0
  B  B17  1  0.22821700  0.22821700  0.67874800  1.0
  B  B18  1  0.22821700  0.67874800  0.22821700  1.0