# generated using pymatgen
data_LiFeBO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.31771100
_cell_length_b   5.88046800
_cell_length_c   10.05417600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeBO4
_chemical_formula_sum   'Li4 Fe4 B4 O16'
_cell_volume   255.27715107
_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
  Li  Li0  1  0.47678900  0.25000000  0.72432800  1
  Li  Li1  1  0.97678900  0.75000000  0.77567200  1
  Li  Li2  1  0.02321100  0.25000000  0.22432800  1
  Li  Li3  1  0.52321100  0.75000000  0.27567200  1
  Fe  Fe4  1  0.00000000  0.50000000  0.50000000  1
  Fe  Fe5  1  0.00000000  0.00000000  0.50000000  1
  Fe  Fe6  1  0.50000000  0.50000000  0.00000000  1
  Fe  Fe7  1  0.50000000  0.00000000  0.00000000  1
  B  B8  1  0.40889000  0.75000000  0.58232400  1
  B  B9  1  0.90889000  0.25000000  0.91767600  1
  B  B10  1  0.09111000  0.75000000  0.08232400  1
  B  B11  1  0.59111000  0.25000000  0.41767600  1
  O  O12  1  0.74778200  0.25000000  0.55802500  1
  O  O13  1  0.74781200  0.75000000  0.57739900  1
  O  O14  1  0.27867000  0.95765400  0.64097700  1
  O  O15  1  0.27867000  0.54234600  0.64097700  1
  O  O16  1  0.77867000  0.04234600  0.85902300  1
  O  O17  1  0.77867000  0.45765400  0.85902300  1
  O  O18  1  0.24781200  0.25000000  0.92260100  1
  O  O19  1  0.24778200  0.75000000  0.94197500  1
  O  O20  1  0.75221800  0.25000000  0.05802500  1
  O  O21  1  0.75218800  0.75000000  0.07739900  1
  O  O22  1  0.22133000  0.54234600  0.14097700  1
  O  O23  1  0.22133000  0.95765400  0.14097700  1
  O  O24  1  0.72133000  0.04234600  0.35902300  1
  O  O25  1  0.72133000  0.45765400  0.35902300  1
  O  O26  1  0.25218800  0.25000000  0.42260100  1
  O  O27  1  0.25221800  0.75000000  0.44197500  1
