# generated using pymatgen
data_Li3Fe(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22351600
_cell_length_b   6.88393781
_cell_length_c   7.87452662
_cell_angle_alpha   108.04590964
_cell_angle_beta   96.57862973
_cell_angle_gamma   88.38520255
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe(BO3)2
_chemical_formula_sum   'Li6 Fe2 B4 O12'
_cell_volume   267.44555159
_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  0.98990900  0.74091100  0.26700000  1
  Li  Li1  1  0.69947100  0.43868100  0.41144000  1
  Li  Li2  1  0.76416300  0.59940000  0.78178900  1
  Li  Li3  1  0.23583700  0.40060000  0.21821100  1
  Li  Li4  1  0.30052900  0.56131900  0.58856000  1
  Li  Li5  1  0.01009100  0.25908900  0.73300000  1
  Fe  Fe6  1  0.58286200  0.99834100  0.80544300  1
  Fe  Fe7  1  0.41713800  0.00165900  0.19455700  1
  B  B8  1  0.57327600  0.78057000  0.44231200  1
  B  B9  1  0.75438700  0.29648200  0.07983200  1
  B  B10  1  0.24561300  0.70351800  0.92016800  1
  B  B11  1  0.42672400  0.21943000  0.55768800  1
  O  O12  1  0.65978800  0.88993200  0.33606100  1
  O  O13  1  0.14278200  0.80757400  0.07856800  1
  O  O14  1  0.72548400  0.79541200  0.60683300  1
  O  O15  1  0.36869700  0.64959700  0.39014400  1
  O  O16  1  0.87129800  0.45234500  0.21238700  1
  O  O17  1  0.48961600  0.78512100  0.90766300  1
  O  O18  1  0.51038400  0.21487900  0.09233700  1
  O  O19  1  0.12870200  0.54765500  0.78761300  1
  O  O20  1  0.63130300  0.35040300  0.60985600  1
  O  O21  1  0.27451600  0.20458800  0.39316700  1
  O  O22  1  0.85721800  0.19242600  0.92143200  1
  O  O23  1  0.34021200  0.11006800  0.66393900  1
