# generated using pymatgen
data_Li2FeBO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06606896
_cell_length_b   5.06606896
_cell_length_c   6.17738805
_cell_angle_alpha   89.20542166
_cell_angle_beta   89.20542166
_cell_angle_gamma   92.26817860
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FeBO4
_chemical_formula_sum   'Li4 Fe2 B2 O8'
_cell_volume   158.38706445
_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
  Li  Li0  1  0.67390400  0.67390400  0.71299700  1
  Li  Li1  1  0.82220400  0.17779600  0.50000000  1
  Li  Li2  1  0.17779600  0.82220400  0.50000000  1
  Li  Li3  1  0.32609600  0.32609600  0.28700300  1
  Fe  Fe4  1  0.80443200  0.19556800  0.00000000  1
  Fe  Fe5  1  0.19556800  0.80443200  0.00000000  1
  B  B6  1  0.68261400  0.68261400  0.25578200  1
  B  B7  1  0.31738600  0.31738600  0.74421800  1
  O  O8  1  0.80433300  0.80433300  0.03178900  1
  O  O9  1  0.80089800  0.80089800  0.43512500  1
  O  O10  1  0.38788700  0.71977300  0.24336200  1
  O  O11  1  0.71977300  0.38788700  0.24336200  1
  O  O12  1  0.61211300  0.28022700  0.75663800  1
  O  O13  1  0.28022700  0.61211300  0.75663800  1
  O  O14  1  0.19910200  0.19910200  0.56487500  1
  O  O15  1  0.19566700  0.19566700  0.96821100  1
