# generated using pymatgen
data_Ca3Fe2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28716875
_cell_length_b   5.32380688
_cell_length_c   10.00261259
_cell_angle_alpha   105.43043187
_cell_angle_beta   90.00021772
_cell_angle_gamma   90.00003472
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Fe2O7
_chemical_formula_sum   'Ca6 Fe4 O14'
_cell_volume   271.40342442
_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
  Ca  Ca0  1  0.72685411  0.75335463  0.00000036  1.0
  Ca  Ca1  1  0.22685013  0.24663818  0.99999275  1.0
  Ca  Ca2  1  0.76891719  0.57582739  0.62976161  1.0
  Ca  Ca3  1  0.26893264  0.42417550  0.37025053  1.0
  Ca  Ca4  1  0.76896120  0.94600502  0.37023710  1.0
  Ca  Ca5  1  0.26894250  0.05400313  0.62977754  1.0
  Fe  Fe6  1  0.75126902  0.35026544  0.19698239  1.0
  Fe  Fe7  1  0.25126223  0.64973194  0.80302123  1.0
  Fe  Fe8  1  0.25128313  0.84675310  0.19718453  1.0
  Fe  Fe9  1  0.75127941  0.15325304  0.80281914  1.0
  O  O10  1  0.74589236  0.01085273  0.60587874  1.0
  O  O11  1  0.24588851  0.98915830  0.39413575  1.0
  O  O12  1  0.24594164  0.59510362  0.60605033  1.0
  O  O13  1  0.74593852  0.40489830  0.39396046  1.0
  O  O14  1  0.02687802  0.36760988  0.78668139  1.0
  O  O15  1  0.52690059  0.63239532  0.21331154  1.0
  O  O16  1  0.52679110  0.41923285  0.78670691  1.0
  O  O17  1  0.02680721  0.58074570  0.21328369  1.0
  O  O18  1  0.97521799  0.88734312  0.82586672  1.0
  O  O19  1  0.47521960  0.11266958  0.17412767  1.0
  O  O20  1  0.75684054  0.30239033  0.00008962  1.0
  O  O21  1  0.25683610  0.69759687  0.99988809  1.0
  O  O22  1  0.97514500  0.06161027  0.17411858  1.0
  O  O23  1  0.47515228  0.93838476  0.82587633  1.0