# generated using pymatgen
data_LiFe2(SO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.70426708
_cell_length_b   8.70426708
_cell_length_c   8.70426715
_cell_angle_alpha   59.72724735
_cell_angle_beta   59.72724735
_cell_angle_gamma   59.72724911
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(SO4)3
_chemical_formula_sum   'Li2 Fe4 S6 O24'
_cell_volume   463.42881046
_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  0.00000000  0.00000000  0.00000000  1
  Li  Li1  1  0.50000000  0.50000000  0.50000000  1
  Fe  Fe2  1  0.35565800  0.35565800  0.35565800  1
  Fe  Fe3  1  0.14434200  0.14434200  0.14434200  1
  Fe  Fe4  1  0.64434200  0.64434200  0.64434200  1
  Fe  Fe5  1  0.85565800  0.85565800  0.85565800  1
  S  S6  1  0.75000000  0.04506700  0.45493300  1
  S  S7  1  0.95493300  0.54506700  0.25000000  1
  S  S8  1  0.54506700  0.25000000  0.95493300  1
  S  S9  1  0.45493300  0.75000000  0.04506700  1
  S  S10  1  0.04506700  0.45493300  0.75000000  1
  S  S11  1  0.25000000  0.95493300  0.54506700  1
  O  O12  1  0.90824800  0.05975300  0.27023400  1
  O  O13  1  0.72976600  0.09175200  0.94024700  1
  O  O14  1  0.89391700  0.49447200  0.69028000  1
  O  O15  1  0.00552800  0.60608300  0.80972000  1
  O  O16  1  0.59175200  0.22976600  0.44024700  1
  O  O17  1  0.77023400  0.55975300  0.40824800  1
  O  O18  1  0.94024700  0.72976600  0.09175200  1
  O  O19  1  0.19028000  0.99447200  0.39391700  1
  O  O20  1  0.50552800  0.30972000  0.10608300  1
  O  O21  1  0.30972000  0.10608300  0.50552800  1
  O  O22  1  0.39391700  0.19028000  0.99447200  1
  O  O23  1  0.55975300  0.40824800  0.77023400  1
  O  O24  1  0.44024700  0.59175200  0.22976600  1
  O  O25  1  0.69028000  0.89391700  0.49447200  1
  O  O26  1  0.60608300  0.80972000  0.00552800  1
  O  O27  1  0.80972000  0.00552800  0.60608300  1
  O  O28  1  0.49447200  0.69028000  0.89391700  1
  O  O29  1  0.05975300  0.27023400  0.90824800  1
  O  O30  1  0.22976600  0.44024700  0.59175200  1
  O  O31  1  0.40824800  0.77023400  0.55975300  1
  O  O32  1  0.10608300  0.50552800  0.30972000  1
  O  O33  1  0.99447200  0.39391700  0.19028000  1
  O  O34  1  0.27023400  0.90824800  0.05975300  1
  O  O35  1  0.09175200  0.94024700  0.72976600  1
