# generated using pymatgen
data_LiFeB2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.85084000
_cell_length_b   4.36834000
_cell_length_c   6.21350197
_cell_angle_alpha   88.78327615
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeB2O5
_chemical_formula_sum   'Li4 Fe4 B8 O20'
_cell_volume   321.59114071
_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  0.72248100  0.62203100  0.74600400  1
  Li  Li1  1  0.77751900  0.62203100  0.24600400  1
  Li  Li2  1  0.22248100  0.37796900  0.75399600  1
  Li  Li3  1  0.27751900  0.37796900  0.25399600  1
  Fe  Fe4  1  0.39984600  0.79365700  0.50696800  1
  Fe  Fe5  1  0.10015400  0.79365700  0.00696800  1
  Fe  Fe6  1  0.89984600  0.20634300  0.99303200  1
  Fe  Fe7  1  0.60015400  0.20634300  0.49303200  1
  B  B8  1  0.36663900  0.81457200  0.98149500  1
  B  B9  1  0.13336100  0.81457200  0.48149500  1
  B  B10  1  0.94286100  0.69308200  0.70850200  1
  B  B11  1  0.55713900  0.69308200  0.20850200  1
  B  B12  1  0.44286100  0.30691800  0.79149800  1
  B  B13  1  0.05713900  0.30691800  0.29149800  1
  B  B14  1  0.86663900  0.18542800  0.51850500  1
  B  B15  1  0.63336100  0.18542800  0.01850500  1
  O  O16  1  0.86280100  0.85795000  0.57543200  1
  O  O17  1  0.63719900  0.85795000  0.07543200  1
  O  O18  1  0.92403600  0.75783100  0.94854300  1
  O  O19  1  0.57596400  0.75783100  0.44854300  1
  O  O20  1  0.06671000  0.76317200  0.68767800  1
  O  O21  1  0.25357400  0.69368000  0.01328000  1
  O  O22  1  0.43329000  0.76317200  0.18767800  1
  O  O23  1  0.24642600  0.69368000  0.51328000  1
  O  O24  1  0.42591200  0.64323600  0.80817100  1
  O  O25  1  0.07408800  0.64323600  0.30817100  1
  O  O26  1  0.92591200  0.35676400  0.69182900  1
  O  O27  1  0.57408800  0.35676400  0.19182900  1
  O  O28  1  0.75357400  0.30632000  0.48672000  1
  O  O29  1  0.56671000  0.23682800  0.81232200  1
  O  O30  1  0.74642600  0.30632000  0.98672000  1
  O  O31  1  0.93329000  0.23682800  0.31232200  1
  O  O32  1  0.42403600  0.24216900  0.55145700  1
  O  O33  1  0.07596400  0.24216900  0.05145700  1
  O  O34  1  0.36280100  0.14205000  0.92456800  1
  O  O35  1  0.13719900  0.14205000  0.42456800  1
