# generated using pymatgen
data_Ca2(Fe2O3)11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   21.27992237
_cell_length_b   21.27992237
_cell_length_c   21.27992209
_cell_angle_alpha   16.22030269
_cell_angle_beta   16.22030269
_cell_angle_gamma   16.22030337
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2(Fe2O3)11
_chemical_formula_sum   'Ca2 Fe22 O33'
_cell_volume   655.49699548
_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
  Ca  Ca0  1  0.95135200  0.95135200  0.95135200  1.0
  Ca  Ca1  1  0.04864800  0.04864800  0.04864800  1.0
  Fe  Fe2  1  0.00032800  0.99967200  0.50000000  1.0
  Fe  Fe3  1  0.42367800  0.40621900  0.90939700  1.0
  Fe  Fe4  1  0.20586900  0.20586900  0.20586900  1.0
  Fe  Fe5  1  0.79413100  0.79413100  0.79413100  1.0
  Fe  Fe6  1  0.57632200  0.09060300  0.59378100  1.0
  Fe  Fe7  1  0.99967200  0.50000000  0.00032800  1.0
  Fe  Fe8  1  0.11727200  0.11727200  0.11727200  1.0
  Fe  Fe9  1  0.53013800  0.53013800  0.53013800  1.0
  Fe  Fe10  1  0.09060300  0.59378100  0.57632200  1.0
  Fe  Fe11  1  0.00000000  0.66532300  0.33467700  1.0
  Fe  Fe12  1  0.46986200  0.46986200  0.46986200  1.0
  Fe  Fe13  1  0.38026300  0.38026300  0.38026300  1.0
  Fe  Fe14  1  0.33467700  0.00000000  0.66532300  1.0
  Fe  Fe15  1  0.61973700  0.61973700  0.61973700  1.0
  Fe  Fe16  1  0.70361300  0.70361300  0.70361300  1.0
  Fe  Fe17  1  0.90939700  0.42367800  0.40621900  1.0
  Fe  Fe18  1  0.66532300  0.33467700  0.00000000  1.0
  Fe  Fe19  1  0.29638700  0.29638700  0.29638700  1.0
  Fe  Fe20  1  0.88272800  0.88272800  0.88272800  1.0
  Fe  Fe21  1  0.40621900  0.90939700  0.42367800  1.0
  Fe  Fe22  1  0.50000000  0.00032800  0.99967200  1.0
  Fe  Fe23  1  0.59378100  0.57632200  0.09060300  1.0
  O  O24  1  0.85348000  0.85348000  0.85348000  1.0
  O  O25  1  0.33012500  0.33012500  0.33012500  1.0
  O  O26  1  0.26683200  0.70116400  0.24012800  1.0
  O  O27  1  0.14652000  0.14652000  0.14652000  1.0
  O  O28  1  0.65394100  0.65461500  0.12885000  1.0
  O  O29  1  0.35457100  0.95583200  0.59332400  1.0
  O  O30  1  0.12885000  0.65394100  0.65461500  1.0
  O  O31  1  0.29883600  0.73316800  0.75987200  1.0
  O  O32  1  0.95583200  0.59332400  0.35457100  1.0
  O  O33  1  0.64542900  0.40667600  0.04416800  1.0
  O  O34  1  0.07069100  0.07334800  0.53683300  1.0
  O  O35  1  0.46316700  0.92665200  0.92930900  1.0
  O  O36  1  0.40667600  0.04416800  0.64542900  1.0
  O  O37  1  0.53683300  0.07069100  0.07334800  1.0
  O  O38  1  0.92665200  0.92930900  0.46316700  1.0
  O  O39  1  0.70116400  0.24012800  0.26683200  1.0
  O  O40  1  0.75987200  0.29883600  0.73316800  1.0
  O  O41  1  0.92930900  0.46316700  0.92665200  1.0
  O  O42  1  0.00000000  0.00000000  0.00000000  1.0
  O  O43  1  0.59332400  0.35457100  0.95583200  1.0
  O  O44  1  0.24012800  0.26683200  0.70116400  1.0
  O  O45  1  0.66987500  0.66987500  0.66987500  1.0
  O  O46  1  0.04416800  0.64542900  0.40667600  1.0
  O  O47  1  0.26380300  0.26380300  0.26380300  1.0
  O  O48  1  0.34605900  0.87115000  0.34538500  1.0
  O  O49  1  0.07334800  0.53683300  0.07069100  1.0
  O  O50  1  0.65461500  0.12885000  0.65394100  1.0
  O  O51  1  0.56080800  0.56080800  0.56080800  1.0
  O  O52  1  0.34538500  0.34605900  0.87115000  1.0
  O  O53  1  0.87115000  0.34538500  0.34605900  1.0
  O  O54  1  0.73316800  0.75987200  0.29883600  1.0
  O  O55  1  0.73619700  0.73619700  0.73619700  1.0
  O  O56  1  0.43919200  0.43919200  0.43919200  1.0