data_[Ca2Fe4O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.1864]
_cell_length_b [6.2254]
_cell_length_c [6.2329]
_cell_angle_alpha [118.8534]
_cell_angle_beta [117.6544]
_cell_angle_gamma [92.0693]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ca(FeO2)2]
_chemical_formula_sum '[Ca2 Fe4 O8]'
_cell_volume [175.4506]
_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  2  0.1219  0.3789  0.2594  1.0
  Fe  Fe1  1  0.0000  0.0000  0.5000  1.0
  Fe  Fe2  1  0.5000  0.0000  0.0000  1.0
  Fe  Fe3  1  0.5000  0.0000  0.5000  1.0
  Fe  Fe4  1  0.5000  0.5000  0.0000  1.0
  O  O5  2  0.2510  0.8107  0.5463  1.0
  O  O6  2  0.2621  0.2292  0.5417  1.0
  O  O7  2  0.3008  0.7686  0.0542  1.0
  O  O8  2  0.3011  0.2508  0.0148  1.0
]