# generated using pymatgen
data_LiFeAsO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95309109
_cell_length_b   6.16802205
_cell_length_c   10.73339214
_cell_angle_alpha   90.00725368
_cell_angle_beta   90.01751252
_cell_angle_gamma   89.98674798
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeAsO4
_chemical_formula_sum   'Li4 Fe4 As4 O16'
_cell_volume   327.91342264
_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  0.99997400  0.99999700  0.99999900  1
  Li  Li1  1  0.49999000  0.00002300  0.50000700  1
  Li  Li2  1  0.99998700  0.50000200  0.00000300  1
  Li  Li3  1  0.49998000  0.49997500  0.50001900  1
  Fe  Fe4  1  0.51118700  0.25000200  0.77702100  1
  Fe  Fe5  1  0.98879000  0.24999200  0.27701800  1
  Fe  Fe6  1  0.01117100  0.75000200  0.72297900  1
  Fe  Fe7  1  0.48887700  0.75002600  0.22270600  1
  As  As8  1  0.56418200  0.74999800  0.90645600  1
  As  As9  1  0.06420600  0.25001600  0.59349000  1
  As  As10  1  0.43579700  0.25000300  0.09351000  1
  As  As11  1  0.93578700  0.75003000  0.40644000  1
  O  O12  1  0.21895200  0.74999800  0.90611900  1
  O  O13  1  0.71902400  0.25000900  0.59400700  1
  O  O14  1  0.78096600  0.24999600  0.09406800  1
  O  O15  1  0.28096900  0.75000000  0.40602700  1
  O  O16  1  0.78995800  0.74997400  0.55242300  1
  O  O17  1  0.29011900  0.24999900  0.94749200  1
  O  O18  1  0.20973300  0.25002900  0.44747000  1
  O  O19  1  0.71002600  0.75002900  0.05244300  1
  O  O20  1  0.71673700  0.96743700  0.83064300  1
  O  O21  1  0.21720300  0.03291500  0.66947700  1
  O  O22  1  0.28302400  0.46710800  0.16951500  1
  O  O23  1  0.78328600  0.53258500  0.33050400  1
  O  O24  1  0.28299200  0.03285400  0.16952700  1
  O  O25  1  0.78334200  0.96740900  0.33052600  1
  O  O26  1  0.71665400  0.53241100  0.83067200  1
  O  O27  1  0.21708200  0.46718200  0.66943900  1
