# generated using pymatgen
data_BaCa(FeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46546048
_cell_length_b   5.46546048
_cell_length_c   7.72273267
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCa(FeO3)4
_chemical_formula_sum   'Ba1 Ca1 Fe4 O12'
_cell_volume   230.68774205
_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
  Ba  Ba0  1  0.50000000  0.50000000  0.00000000  1.0
  Ca  Ca1  1  -0.00000000  0.00000000  0.50000000  1.0
  Fe  Fe2  1  -0.00000000  0.50000000  0.74745211  1.0
  Fe  Fe3  1  -0.00000000  0.50000000  0.25254789  1.0
  Fe  Fe4  1  0.50000000  -0.00000000  0.25254789  1.0
  Fe  Fe5  1  0.50000000  0.00000000  0.74745211  1.0
  O  O6  1  0.24260513  0.24260513  0.26063855  1.0
  O  O7  1  0.24260513  0.24260513  0.73936145  1.0
  O  O8  1  0.75739487  0.75739487  0.73936145  1.0
  O  O9  1  0.75739487  0.75739487  0.26063855  1.0
  O  O10  1  0.75739487  0.24260513  0.73936145  1.0
  O  O11  1  0.75739487  0.24260513  0.26063855  1.0
  O  O12  1  0.24260513  0.75739487  0.73936145  1.0
  O  O13  1  0.24260513  0.75739487  0.26063855  1.0
  O  O14  1  -0.00000000  0.50000000  0.50000000  1.0
  O  O15  1  -0.00000000  0.50000000  0.00000000  1.0
  O  O16  1  0.50000000  0.00000000  0.50000000  1.0
  O  O17  1  0.50000000  0.00000000  0.00000000  1.0