# generated using pymatgen
data_Ca(FeO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02567488
_cell_length_b   9.24346216
_cell_length_c   10.72256921
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(FeO2)2
_chemical_formula_sum   'Ca4 Fe8 O16'
_cell_volume   299.88571965
_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  0.75000000  0.24342433  0.34370964  1.0
  Ca  Ca1  1  0.25000000  0.75657567  0.65629036  1.0
  Ca  Ca2  1  0.75000000  0.74342433  0.15629036  1.0
  Ca  Ca3  1  0.25000000  0.25657567  0.84370964  1.0
  Fe  Fe4  1  0.25000000  0.41979698  0.10432678  1.0
  Fe  Fe5  1  0.75000000  0.08020302  0.60432678  1.0
  Fe  Fe6  1  0.25000000  0.91979698  0.39567322  1.0
  Fe  Fe7  1  0.75000000  0.58020302  0.89567322  1.0
  Fe  Fe8  1  0.75000000  0.56780903  0.38981136  1.0
  Fe  Fe9  1  0.25000000  0.43219097  0.61018864  1.0
  Fe  Fe10  1  0.75000000  0.06780903  0.11018864  1.0
  Fe  Fe11  1  0.25000000  0.93219097  0.88981136  1.0
  O  O12  1  0.25000000  0.91767340  0.07326654  1.0
  O  O13  1  0.75000000  0.08232660  0.92673346  1.0
  O  O14  1  0.25000000  0.41767340  0.42673346  1.0
  O  O15  1  0.75000000  0.58232660  0.57326654  1.0
  O  O16  1  0.25000000  0.02547117  0.71676489  1.0
  O  O17  1  0.75000000  0.97452883  0.28323511  1.0
  O  O18  1  0.25000000  0.52547117  0.78323511  1.0
  O  O19  1  0.75000000  0.47452883  0.21676489  1.0
  O  O20  1  0.25000000  0.61989771  0.02445651  1.0
  O  O21  1  0.75000000  0.38010229  0.97554349  1.0
  O  O22  1  0.25000000  0.11989771  0.47554349  1.0
  O  O23  1  0.75000000  0.88010229  0.52445651  1.0
  O  O24  1  0.75000000  0.79475416  0.83582048  1.0
  O  O25  1  0.25000000  0.20524584  0.16417952  1.0
  O  O26  1  0.25000000  0.70524584  0.33582048  1.0
  O  O27  1  0.75000000  0.29475416  0.66417952  1.0