# generated using pymatgen
data_BaCaFe2Co2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41693560
_cell_length_b   6.41693560
_cell_length_c   10.39529563
_cell_angle_alpha   89.98270061
_cell_angle_beta   89.98270061
_cell_angle_gamma   60.31537402
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCaFe2Co2O7
_chemical_formula_sum   'Ba2 Ca2 Fe4 Co4 O14'
_cell_volume   371.87262566
_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
  Ba  Ba0  1  0.33662500  0.33662500  0.98899000  1.0
  Ba  Ba1  1  0.66306500  0.66306500  0.49617200  1.0
  Ca  Ca2  1  0.33432500  0.33432500  0.62779600  1.0
  Ca  Ca3  1  0.66456500  0.66456500  0.12772600  1.0
  Fe  Fe4  1  0.00083700  0.00083700  0.06265300  1.0
  Fe  Fe5  1  0.00103200  0.00103200  0.56496200  1.0
  Fe  Fe6  1  0.66211700  0.17030000  0.31508100  1.0
  Fe  Fe7  1  0.17030000  0.66211700  0.31508100  1.0
  Co  Co8  1  0.83017300  0.83017300  0.81465100  1.0
  Co  Co9  1  0.34046000  0.82765500  0.81579900  1.0
  Co  Co10  1  0.82765500  0.34046000  0.81579900  1.0
  Co  Co11  1  0.17623200  0.17623200  0.31029800  1.0
  O  O12  1  0.01075200  0.01075200  0.24894700  1.0
  O  O13  1  0.99290300  0.99290300  0.75470900  1.0
  O  O14  1  0.49821700  0.49821700  0.76060400  1.0
  O  O15  1  0.98632100  0.51193700  0.75826500  1.0
  O  O16  1  0.51193700  0.98632100  0.75826500  1.0
  O  O17  1  0.50135600  0.50135600  0.25783100  1.0
  O  O18  1  0.99757500  0.49249200  0.26499100  1.0
  O  O19  1  0.49249200  0.99757500  0.26499100  1.0
  O  O20  1  0.84237700  0.84237700  0.99507700  1.0
  O  O21  1  0.31213300  0.84517900  0.00375800  1.0
  O  O22  1  0.84517900  0.31213300  0.00375800  1.0
  O  O23  1  0.15589100  0.15589100  0.49453900  1.0
  O  O24  1  0.69068900  0.15479000  0.50362800  1.0
  O  O25  1  0.15479000  0.69068900  0.50362800  1.0