# generated using pymatgen
data_CaFe3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33172900
_cell_length_b   10.48452300
_cell_length_c   11.21685500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaFe3O7
_chemical_formula_sum   'Ca4 Fe12 O28'
_cell_volume   627.02932091
_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
  Ca  Ca0  1  0.68555500  0.75000000  0.08187200  1.0
  Ca  Ca1  1  0.18555500  0.25000000  0.41812800  1.0
  Ca  Ca2  1  0.31444500  0.25000000  0.91812800  1.0
  Ca  Ca3  1  0.81444500  0.75000000  0.58187200  1.0
  Fe  Fe4  1  0.30529500  0.02447400  0.69032600  1.0
  Fe  Fe5  1  0.80529500  0.97552600  0.80967400  1.0
  Fe  Fe6  1  0.69470500  0.52447400  0.30967400  1.0
  Fe  Fe7  1  0.19470500  0.47552600  0.19032600  1.0
  Fe  Fe8  1  0.31284300  0.75000000  0.78406100  1.0
  Fe  Fe9  1  0.81284300  0.25000000  0.71593900  1.0
  Fe  Fe10  1  0.68715700  0.25000000  0.21593900  1.0
  Fe  Fe11  1  0.18715700  0.75000000  0.28406100  1.0
  Fe  Fe12  1  0.80529500  0.52447400  0.80967400  1.0
  Fe  Fe13  1  0.30529500  0.47552600  0.69032600  1.0
  Fe  Fe14  1  0.19470500  0.02447400  0.19032600  1.0
  Fe  Fe15  1  0.69470500  0.97552600  0.30967400  1.0
  O  O16  1  0.93234400  0.12074200  0.27534500  1.0
  O  O17  1  0.43234400  0.87925800  0.22465500  1.0
  O  O18  1  0.06765600  0.62074200  0.72465500  1.0
  O  O19  1  0.56765600  0.37925800  0.77534500  1.0
  O  O20  1  0.06765600  0.87925800  0.72465500  1.0
  O  O21  1  0.56765600  0.12074200  0.77534500  1.0
  O  O22  1  0.93234400  0.37925800  0.27534500  1.0
  O  O23  1  0.43234400  0.62074200  0.22465500  1.0
  O  O24  1  0.45255300  0.11905200  0.28161900  1.0
  O  O25  1  0.95255300  0.88094800  0.21838100  1.0
  O  O26  1  0.54744700  0.61905200  0.71838100  1.0
  O  O27  1  0.04744700  0.38094800  0.78161900  1.0
  O  O28  1  0.54744700  0.88094800  0.71838100  1.0
  O  O29  1  0.04744700  0.11905200  0.78161900  1.0
  O  O30  1  0.45255300  0.38094800  0.28161900  1.0
  O  O31  1  0.95255300  0.61905200  0.21838100  1.0
  O  O32  1  0.13582300  0.75000000  0.44215100  1.0
  O  O33  1  0.63582300  0.25000000  0.05784900  1.0
  O  O34  1  0.86417700  0.25000000  0.55784900  1.0
  O  O35  1  0.36417700  0.75000000  0.94215100  1.0
  O  O36  1  0.22011500  0.41789300  0.04163000  1.0
  O  O37  1  0.72011500  0.58210700  0.45837000  1.0
  O  O38  1  0.77988500  0.91789300  0.95837000  1.0
  O  O39  1  0.27988500  0.08210700  0.54163000  1.0
  O  O40  1  0.77988500  0.58210700  0.95837000  1.0
  O  O41  1  0.27988500  0.41789300  0.54163000  1.0
  O  O42  1  0.22011500  0.08210700  0.04163000  1.0
  O  O43  1  0.72011500  0.91789300  0.45837000  1.0