# generated using pymatgen
data_LiFeAs2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.40535483
_cell_length_b   5.40535483
_cell_length_c   4.82938765
_cell_angle_alpha   81.29138016
_cell_angle_beta   81.29138016
_cell_angle_gamma   102.24006890
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeAs2O7
_chemical_formula_sum   'Li1 Fe1 As2 O7'
_cell_volume   133.82485735
_cell_formula_units_Z   1
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  0.37887700  0.62112300  0.00000000  1
  Fe  Fe1  1  0.99985600  0.00014400  0.00000000  1
  As  As2  1  0.44615200  0.11780900  0.40857300  1
  As  As3  1  0.88219100  0.55384800  0.59142700  1
  O  O4  1  0.26831700  0.23012300  0.17644700  1
  O  O5  1  0.76987700  0.73168300  0.82355300  1
  O  O6  1  0.67498100  0.98465200  0.25524600  1
  O  O7  1  0.01534800  0.32501900  0.74475400  1
  O  O8  1  0.28960400  0.92201500  0.72732500  1
  O  O9  1  0.07798500  0.71039600  0.27267500  1
  O  O10  1  0.58151300  0.41848700  0.50000000  1
