# generated using pymatgen
data_Ca(Fe2O3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37227754
_cell_length_b   5.37227754
_cell_length_c   15.34596400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   146.81696450
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(Fe2O3)2
_chemical_formula_sum   'Ca2 Fe8 O12'
_cell_volume   242.40901129
_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  0.34475600  0.65524400  0.75000000  1.0
  Ca  Ca1  1  0.65524400  0.34475600  0.25000000  1.0
  Fe  Fe2  1  0.13464900  0.86535100  0.04365200  1.0
  Fe  Fe3  1  0.86535100  0.13464900  0.95634800  1.0
  Fe  Fe4  1  0.13464900  0.86535100  0.45634800  1.0
  Fe  Fe5  1  0.86535100  0.13464900  0.54365200  1.0
  Fe  Fe6  1  0.59674300  0.40325700  0.63334500  1.0
  Fe  Fe7  1  0.40325700  0.59674300  0.36665500  1.0
  Fe  Fe8  1  0.40325700  0.59674300  0.13334500  1.0
  Fe  Fe9  1  0.59674300  0.40325700  0.86665500  1.0
  O  O10  1  0.50000000  0.50000000  0.50000000  1.0
  O  O11  1  0.50000000  0.50000000  0.00000000  1.0
  O  O12  1  0.96617700  0.03382300  0.84200400  1.0
  O  O13  1  0.03382300  0.96617700  0.15799600  1.0
  O  O14  1  0.03382300  0.96617700  0.34200400  1.0
  O  O15  1  0.96617700  0.03382300  0.65799600  1.0
  O  O16  1  0.21444300  0.78555700  0.91523000  1.0
  O  O17  1  0.78555700  0.21444300  0.08477000  1.0
  O  O18  1  0.78555700  0.21444300  0.41523000  1.0
  O  O19  1  0.21444300  0.78555700  0.58477000  1.0
  O  O20  1  0.67741700  0.32258300  0.75000000  1.0
  O  O21  1  0.32258300  0.67741700  0.25000000  1.0