# generated using pymatgen
data_LiFe(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.44513218
_cell_length_b   7.32839345
_cell_length_c   7.40640822
_cell_angle_alpha   88.78176630
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe(PO3)4
_chemical_formula_sum   'Li2 Fe2 P8 O24'
_cell_volume   458.27345216
_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  0.71549862  0.71064827  0.47818910  1
  Li  Li1  1  0.21549862  0.28935173  0.52181090  1
  Fe  Fe2  1  0.49049705  0.74149692  0.85175170  1
  Fe  Fe3  1  0.99049705  0.25850308  0.14824830  1
  P  P4  1  0.30390337  0.90245276  0.49813132  1
  P  P5  1  0.86767769  0.92981097  0.86471330  1
  P  P6  1  0.07920527  0.63828452  0.33814688  1
  P  P7  1  0.10785004  0.63551243  0.94594735  1
  P  P8  1  0.60785004  0.36448757  0.05405265  1
  P  P9  1  0.57920527  0.36171548  0.66185312  1
  P  P10  1  0.36767769  0.07018903  0.13528670  1
  P  P11  1  0.80390337  0.09754724  0.50186868  1
  O  O12  1  0.39011355  0.95180351  0.31194186  1
  O  O13  1  0.41387039  0.95336704  0.98281276  1
  O  O14  1  0.92634911  0.70113972  0.40620931  1
  O  O15  1  0.68700280  0.96042743  0.45353805  1
  O  O16  1  0.70899000  0.84330086  0.87238483  1
  O  O17  1  0.22444501  0.71112192  0.44976714  1
  O  O18  1  0.43330573  0.85442054  0.62658090  1
  O  O19  1  0.99722939  0.77439789  0.83815590  1
  O  O20  1  0.11580797  0.72375198  0.14018128  1
  O  O21  1  0.26545182  0.63797867  0.85748211  1
  O  O22  1  0.10688642  0.43572504  0.32901092  1
  O  O23  1  0.52958378  0.54766749  0.04155122  1
  O  O24  1  0.02958378  0.45233251  0.95844878  1
  O  O25  1  0.60688642  0.56427496  0.67098908  1
  O  O26  1  0.76545182  0.36202133  0.14251789  1
  O  O27  1  0.61580797  0.27624802  0.85981872  1
  O  O28  1  0.49722939  0.22560211  0.16184410  1
  O  O29  1  0.93330573  0.14557946  0.37341910  1
  O  O30  1  0.72444501  0.28887808  0.55023286  1
  O  O31  1  0.20899000  0.15669914  0.12761517  1
  O  O32  1  0.18700280  0.03957257  0.54646195  1
  O  O33  1  0.42634911  0.29886028  0.59379069  1
  O  O34  1  0.91387039  0.04663296  0.01718724  1
  O  O35  1  0.89011355  0.04819649  0.68805814  1
