# generated using pymatgen
data_Li7Fe4(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.80250580
_cell_length_b   9.80250580
_cell_length_c   9.74397496
_cell_angle_alpha   88.12174147
_cell_angle_beta   88.12174147
_cell_angle_gamma   88.08850857
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li7Fe4(PO4)6
_chemical_formula_sum   'Li14 Fe8 P12 O48'
_cell_volume   934.79565832
_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  0.71781000  0.55371000  0.16115200  1
  Li  Li1  1  0.94880000  0.35420900  0.27604700  1
  Li  Li2  1  0.46699300  0.28762900  0.34802900  1
  Li  Li3  1  0.83238900  0.78290000  0.95846000  1
  Li  Li4  1  0.65533900  0.03252900  0.21379700  1
  Li  Li5  1  0.22027700  0.14891300  0.53884700  1
  Li  Li6  1  0.99499200  0.50294200  0.00147500  1
  Li  Li7  1  0.50294200  0.99499200  0.50147500  1
  Li  Li8  1  0.78290000  0.83238900  0.45846000  1
  Li  Li9  1  0.14891300  0.22027700  0.03884700  1
  Li  Li10  1  0.35420900  0.94880000  0.77604700  1
  Li  Li11  1  0.55371000  0.71781000  0.66115200  1
  Li  Li12  1  0.03252900  0.65533900  0.71379700  1
  Li  Li13  1  0.28762900  0.46699300  0.84802900  1
  Fe  Fe14  1  0.75200000  0.47021500  0.52952100  1
  Fe  Fe15  1  0.03078000  0.96861700  0.24725800  1
  Fe  Fe16  1  0.47021500  0.75200000  0.02952100  1
  Fe  Fe17  1  0.75019000  0.25655000  0.74357300  1
  Fe  Fe18  1  0.25655000  0.75019000  0.24357300  1
  Fe  Fe19  1  0.96861700  0.03078000  0.74725800  1
  Fe  Fe20  1  0.53031000  0.25062500  0.97018300  1
  Fe  Fe21  1  0.25062500  0.53031000  0.47018300  1
  P  P22  1  0.32606800  0.44819600  0.14781800  1
  P  P23  1  0.85338400  0.17303200  0.04702300  1
  P  P24  1  0.35299600  0.05381400  0.17417000  1
  P  P25  1  0.82789500  0.14002100  0.44681400  1
  P  P26  1  0.44819600  0.32606800  0.64781800  1
  P  P27  1  0.05381400  0.35299600  0.67417000  1
  P  P28  1  0.95468700  0.64894200  0.33078000  1
  P  P29  1  0.54947600  0.66835200  0.35704100  1
  P  P30  1  0.17303200  0.85338400  0.54702300  1
  P  P31  1  0.64894200  0.95468700  0.83078000  1
  P  P32  1  0.14002100  0.82789500  0.94681400  1
  P  P33  1  0.66835200  0.54947600  0.85704100  1
  O  O34  1  0.21484300  0.40043600  0.05525100  1
  O  O35  1  0.46885800  0.38326000  0.10833800  1
  O  O36  1  0.94624800  0.28496500  0.09292500  1
  O  O37  1  0.69906000  0.19472800  0.08591100  1
  O  O38  1  0.30423600  0.41212300  0.30411200  1
  O  O39  1  0.39379500  0.11627600  0.02984300  1
  O  O40  1  0.89447900  0.03128900  0.11241200  1
  O  O41  1  0.80242500  0.29184300  0.40607800  1
  O  O42  1  0.19735600  0.09014000  0.19551800  1
  O  O43  1  0.38326000  0.46885800  0.60833800  1
  O  O44  1  0.11627600  0.39379500  0.52984300  1
  O  O45  1  0.44601700  0.10225400  0.28524000  1
  O  O46  1  0.12259900  0.83316100  0.10907400  1
  O  O47  1  0.37589500  0.89539200  0.17075400  1
  O  O48  1  0.97227400  0.09861300  0.38663100  1
  O  O49  1  0.89539200  0.37589500  0.67075400  1
  O  O50  1  0.60649000  0.33024600  0.62226900  1
  O  O51  1  0.71934800  0.04182600  0.40323300  1
  O  O52  1  0.40043600  0.21484300  0.55525100  1
  O  O53  1  0.10225400  0.44601700  0.78524000  1
  O  O54  1  0.66756600  0.38708700  0.87887100  1
  O  O55  1  0.83316100  0.12259900  0.60907400  1
  O  O56  1  0.91650700  0.80205400  0.29498000  1
  O  O57  1  0.58807000  0.70951300  0.20660800  1
  O  O58  1  0.09014000  0.19735600  0.69551800  1
  O  O59  1  0.41212300  0.30423600  0.80411200  1
  O  O60  1  0.33024600  0.60649000  0.12226900  1
  O  O61  1  0.16801400  0.87701400  0.38613700  1
  O  O62  1  0.90549000  0.55043300  0.22399900  1
  O  O63  1  0.59507300  0.77130400  0.46155100  1
  O  O64  1  0.28496500  0.94624800  0.59292500  1
  O  O65  1  0.11540000  0.62401400  0.33049500  1
  O  O66  1  0.38708700  0.66756600  0.37887100  1
  O  O67  1  0.03128900  0.89447900  0.61241200  1
  O  O68  1  0.62401400  0.11540000  0.83049500  1
  O  O69  1  0.87701400  0.16801400  0.88613700  1
  O  O70  1  0.55043300  0.90549000  0.72399900  1
  O  O71  1  0.89303600  0.62238600  0.47584000  1
  O  O72  1  0.60873600  0.52244700  0.38214300  1
  O  O73  1  0.80205400  0.91650700  0.79498000  1
  O  O74  1  0.19472800  0.69906000  0.58591100  1
  O  O75  1  0.09861300  0.97227400  0.88663100  1
  O  O76  1  0.62238600  0.89303600  0.97584000  1
  O  O77  1  0.70951300  0.58807000  0.70660800  1
  O  O78  1  0.29184200  0.80242500  0.90607800  1
  O  O79  1  0.04182600  0.71934800  0.90323300  1
  O  O80  1  0.52244700  0.60873700  0.88214300  1
  O  O81  1  0.77130400  0.59507300  0.96155100  1
