# generated using pymatgen
data_Li2FeBr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.82915746
_cell_length_b   7.82915746
_cell_length_c   7.82915746
_cell_angle_alpha   119.84170712
_cell_angle_beta   119.46566569
_cell_angle_gamma   90.60119200
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FeBr4
_chemical_formula_sum   'Li4 Fe2 Br8'
_cell_volume   341.08751719
_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  0.13083100  0.88083100  0.25000000  1
  Li  Li1  1  0.50000000  0.50000000  0.00000000  1
  Li  Li2  1  0.00000000  0.50000000  0.50000000  1
  Li  Li3  1  0.86916900  0.11916900  0.75000000  1
  Fe  Fe4  1  0.50000000  0.00000000  0.00000000  1
  Fe  Fe5  1  0.50000000  0.50000000  0.50000000  1
  Br  Br6  1  0.26419600  0.75349300  0.98929700  1
  Br  Br7  1  0.72650900  0.74684900  0.97966000  1
  Br  Br8  1  0.26419600  0.27489900  0.51070300  1
  Br  Br9  1  0.26718900  0.74684900  0.52034000  1
  Br  Br10  1  0.73281100  0.25315100  0.47966000  1
  Br  Br11  1  0.73580400  0.72510100  0.48929700  1
  Br  Br12  1  0.27349100  0.25315100  0.02034000  1
  Br  Br13  1  0.73580400  0.24650700  0.01070300  1
