# generated using pymatgen
data_Li2Fe2(SO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.71620900
_cell_length_b   8.89734800
_cell_length_c   12.47801400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Fe2(SO4)3
_chemical_formula_sum   'Li8 Fe8 S12 O48'
_cell_volume   967.68426945
_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  0.21805000  0.27614400  0.18210600  1
  Li  Li1  1  0.78195000  0.77614400  0.18210600  1
  Li  Li2  1  0.28195000  0.77614400  0.31789400  1
  Li  Li3  1  0.71805000  0.27614400  0.31789400  1
  Li  Li4  1  0.28195000  0.72385600  0.68210600  1
  Li  Li5  1  0.71805000  0.22385600  0.68210600  1
  Li  Li6  1  0.21805000  0.22385600  0.81789400  1
  Li  Li7  1  0.78195000  0.72385600  0.81789400  1
  Fe  Fe8  1  0.25230500  0.95927300  0.11106300  1
  Fe  Fe9  1  0.74769500  0.45927300  0.11106300  1
  Fe  Fe10  1  0.75230500  0.95927300  0.38893700  1
  Fe  Fe11  1  0.24769500  0.45927300  0.38893700  1
  Fe  Fe12  1  0.24769500  0.04072700  0.61106300  1
  Fe  Fe13  1  0.75230500  0.54072700  0.61106300  1
  Fe  Fe14  1  0.25230500  0.54072700  0.88893700  1
  Fe  Fe15  1  0.74769500  0.04072700  0.88893700  1
  S  S16  1  0.45664200  0.25000000  0.00000000  1
  S  S17  1  0.54335800  0.75000000  0.00000000  1
  S  S18  1  0.10123300  0.60451900  0.14646200  1
  S  S19  1  0.89876700  0.10451900  0.14646200  1
  S  S20  1  0.39876700  0.10451900  0.35353800  1
  S  S21  1  0.60123300  0.60451900  0.35353800  1
  S  S22  1  0.04335800  0.75000000  0.50000000  1
  S  S23  1  0.95664200  0.25000000  0.50000000  1
  S  S24  1  0.39876700  0.39548100  0.64646200  1
  S  S25  1  0.60123300  0.89548100  0.64646200  1
  S  S26  1  0.10123300  0.89548100  0.85353800  1
  S  S27  1  0.89876700  0.39548100  0.85353800  1
  O  O28  1  0.13612200  0.57605900  0.03403600  1
  O  O29  1  0.86387800  0.07605900  0.03403600  1
  O  O30  1  0.54925400  0.36260900  0.05692800  1
  O  O31  1  0.45074600  0.86260900  0.05692800  1
  O  O32  1  0.35563200  0.17451100  0.08061600  1
  O  O33  1  0.64436800  0.67451100  0.08061600  1
  O  O34  1  0.06969600  0.10947400  0.16173100  1
  O  O35  1  0.93030400  0.60947400  0.16173100  1
  O  O36  1  0.16613600  0.75186700  0.18267800  1
  O  O37  1  0.83386400  0.25186700  0.18267800  1
  O  O38  1  0.83410100  0.98240600  0.21565200  1
  O  O39  1  0.16589900  0.48240600  0.21565200  1
  O  O40  1  0.33410100  0.98240600  0.28434800  1
  O  O41  1  0.66589900  0.48240600  0.28434800  1
  O  O42  1  0.66613600  0.75186700  0.31732200  1
  O  O43  1  0.33386400  0.25186700  0.31732200  1
  O  O44  1  0.43030400  0.60947400  0.33826900  1
  O  O45  1  0.56969600  0.10947400  0.33826900  1
  O  O46  1  0.14436800  0.67451100  0.41938400  1
  O  O47  1  0.85563200  0.17451100  0.41938400  1
  O  O48  1  0.04925400  0.36260900  0.44307200  1
  O  O49  1  0.95074600  0.86260900  0.44307200  1
  O  O50  1  0.63612200  0.57605900  0.46596400  1
  O  O51  1  0.36387800  0.07605900  0.46596400  1
  O  O52  1  0.36387800  0.42394100  0.53403600  1
  O  O53  1  0.63612200  0.92394100  0.53403600  1
  O  O54  1  0.04925400  0.13739100  0.55692800  1
  O  O55  1  0.95074600  0.63739100  0.55692800  1
  O  O56  1  0.14436800  0.82548900  0.58061600  1
  O  O57  1  0.85563200  0.32548900  0.58061600  1
  O  O58  1  0.43030400  0.89052600  0.66173100  1
  O  O59  1  0.56969600  0.39052600  0.66173100  1
  O  O60  1  0.33386400  0.24813300  0.68267800  1
  O  O61  1  0.66613600  0.74813300  0.68267800  1
  O  O62  1  0.33410100  0.51759400  0.71565200  1
  O  O63  1  0.66589900  0.01759400  0.71565200  1
  O  O64  1  0.16589900  0.01759400  0.78434800  1
  O  O65  1  0.83410100  0.51759400  0.78434800  1
  O  O66  1  0.16613600  0.74813300  0.81732200  1
  O  O67  1  0.83386400  0.24813300  0.81732200  1
  O  O68  1  0.06969600  0.39052600  0.83826900  1
  O  O69  1  0.93030400  0.89052600  0.83826900  1
  O  O70  1  0.35563200  0.32548900  0.91938400  1
  O  O71  1  0.64436800  0.82548900  0.91938400  1
  O  O72  1  0.45074600  0.63739100  0.94307200  1
  O  O73  1  0.54925400  0.13739100  0.94307200  1
  O  O74  1  0.13612200  0.92394100  0.96596400  1
  O  O75  1  0.86387800  0.42394100  0.96596400  1
