# generated using pymatgen
data_Ca2Fe3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.05589396
_cell_length_b   6.05589396
_cell_length_c   10.57972100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999956
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Fe3O8
_chemical_formula_sum   'Ca4 Fe6 O16'
_cell_volume   336.01709472
_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  0.66666700  0.33333300  0.02543500  1.0
  Ca  Ca1  1  0.33333300  0.66666700  0.52543500  1.0
  Ca  Ca2  1  0.66666700  0.33333300  0.42967000  1.0
  Ca  Ca3  1  0.33333300  0.66666700  0.92967000  1.0
  Fe  Fe4  1  0.67161400  0.83580700  0.24585500  1.0
  Fe  Fe5  1  0.83580700  0.16419300  0.74585500  1.0
  Fe  Fe6  1  0.16419300  0.32838600  0.24585500  1.0
  Fe  Fe7  1  0.83580700  0.67161400  0.74585500  1.0
  Fe  Fe8  1  0.32838600  0.16419300  0.74585500  1.0
  Fe  Fe9  1  0.16419300  0.83580700  0.24585500  1.0
  O  O10  1  0.84558000  0.15442000  0.15613200  1.0
  O  O11  1  0.69115900  0.84558000  0.65613200  1.0
  O  O12  1  0.15442000  0.30884100  0.65613200  1.0
  O  O13  1  0.84558000  0.69115900  0.15613200  1.0
  O  O14  1  0.30884100  0.15442000  0.15613200  1.0
  O  O15  1  0.15442000  0.84558000  0.65613200  1.0
  O  O16  1  0.52359100  0.47640900  0.84707200  1.0
  O  O17  1  0.04718200  0.52359100  0.34707200  1.0
  O  O18  1  0.47640900  0.95281800  0.34707200  1.0
  O  O19  1  0.52359100  0.04718200  0.84707200  1.0
  O  O20  1  0.00000000  0.00000000  0.35064200  1.0
  O  O21  1  0.00000000  0.00000000  0.85064200  1.0
  O  O22  1  0.33333300  0.66666700  0.14058000  1.0
  O  O23  1  0.95281800  0.47640900  0.84707200  1.0
  O  O24  1  0.47640900  0.52359100  0.34707200  1.0
  O  O25  1  0.66666700  0.33333300  0.64058000  1.0