# generated using pymatgen
data_Li3FeBO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78895100
_cell_length_b   4.81128100
_cell_length_c   16.33509300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3FeBO5
_chemical_formula_sum   'Li12 Fe4 B4 O20'
_cell_volume   376.37669741
_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  0.31377000  0.99192800  0.61155200  1
  Li  Li1  1  0.81377000  0.99192800  0.88844800  1
  Li  Li2  1  0.68373000  0.49664400  0.00790200  1
  Li  Li3  1  0.18373000  0.49664400  0.49209800  1
  Li  Li4  1  0.66989400  0.50476100  0.79312800  1
  Li  Li5  1  0.16989400  0.50476100  0.70687200  1
  Li  Li6  1  0.68623000  0.49192800  0.38844800  1
  Li  Li7  1  0.18623000  0.49192800  0.11155200  1
  Li  Li8  1  0.31627000  0.99664400  0.99209800  1
  Li  Li9  1  0.81627000  0.99664400  0.50790200  1
  Li  Li10  1  0.83010600  0.00476100  0.29312800  1
  Li  Li11  1  0.33010600  0.00476100  0.20687200  1
  Fe  Fe12  1  0.81856700  0.98984300  0.10463700  1
  Fe  Fe13  1  0.31856700  0.98984300  0.39536300  1
  Fe  Fe14  1  0.68143300  0.48984300  0.60463700  1
  Fe  Fe15  1  0.18143300  0.48984300  0.89536300  1
  B  B16  1  0.81961300  0.00399500  0.70738100  1
  B  B17  1  0.31961300  0.00399500  0.79261900  1
  B  B18  1  0.68038700  0.50399500  0.20738100  1
  B  B19  1  0.18038700  0.50399500  0.29261900  1
  O  O20  1  0.61995000  0.91087100  0.77458700  1
  O  O21  1  0.11995000  0.91087100  0.72541300  1
  O  O22  1  0.67515200  0.90556200  0.39774300  1
  O  O23  1  0.17515200  0.90556200  0.10225700  1
  O  O24  1  0.71675200  0.91176100  0.00343900  1
  O  O25  1  0.21675200  0.91176100  0.49656100  1
  O  O26  1  0.68261500  0.81116800  0.19947900  1
  O  O27  1  0.18261500  0.81116800  0.30052100  1
  O  O28  1  0.73756400  0.87846600  0.62745400  1
  O  O29  1  0.23756400  0.87846600  0.87254600  1
  O  O30  1  0.38005000  0.41087100  0.22541300  1
  O  O31  1  0.88005000  0.41087100  0.27458700  1
  O  O32  1  0.82484800  0.40556200  0.89774300  1
  O  O33  1  0.32484800  0.40556200  0.60225700  1
  O  O34  1  0.78324800  0.41176100  0.50343900  1
  O  O35  1  0.28324800  0.41176100  0.99656100  1
  O  O36  1  0.81738500  0.31116800  0.69947900  1
  O  O37  1  0.31738500  0.31116800  0.80052100  1
  O  O38  1  0.76243600  0.37846600  0.12745400  1
  O  O39  1  0.26243600  0.37846600  0.37254600  1
