# generated using pymatgen
data_Sr2Ca2Fe(CoO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.82143400
_cell_length_b   7.59093500
_cell_length_c   7.68009502
_cell_angle_alpha   89.99622509
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2Ca2Fe(CoO4)3
_chemical_formula_sum   'Sr4 Ca4 Fe2 Co6 O24'
_cell_volume   455.98257807
_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
  Sr  Sr0  1  0.50000000  0.25100300  0.25345000  1.0
  Sr  Sr1  1  0.00000000  0.25035800  0.25371900  1.0
  Sr  Sr2  1  0.00000000  0.25046800  0.74668200  1.0
  Sr  Sr3  1  0.50000000  0.74856200  0.74664500  1.0
  Ca  Ca4  1  0.50000000  0.75521700  0.25954000  1.0
  Ca  Ca5  1  0.00000000  0.75346700  0.25945200  1.0
  Ca  Ca6  1  0.50000000  0.24589500  0.74042700  1.0
  Ca  Ca7  1  0.00000000  0.75353200  0.73921600  1.0
  Fe  Fe8  1  0.24980400  0.99781300  0.99992600  1.0
  Fe  Fe9  1  0.75019600  0.99781300  0.99992600  1.0
  Co  Co10  1  0.24997600  0.50051200  0.99996100  1.0
  Co  Co11  1  0.75002400  0.50051200  0.99996100  1.0
  Co  Co12  1  0.25011400  0.99876800  0.50015400  1.0
  Co  Co13  1  0.74988600  0.99876800  0.50015400  1.0
  Co  Co14  1  0.24986600  0.50169900  0.49989100  1.0
  Co  Co15  1  0.75013400  0.50169900  0.49989100  1.0
  O  O16  1  0.24989900  0.99338200  0.24733200  1.0
  O  O17  1  0.75010100  0.99338200  0.24733200  1.0
  O  O18  1  0.24975900  0.50397900  0.26527200  1.0
  O  O19  1  0.75024100  0.50397900  0.26527200  1.0
  O  O20  1  0.24968000  0.99820400  0.75272200  1.0
  O  O21  1  0.75032000  0.99820400  0.75272200  1.0
  O  O22  1  0.24938700  0.50040900  0.73481600  1.0
  O  O23  1  0.75061300  0.50040900  0.73481600  1.0
  O  O24  1  0.25119600  0.26294800  0.99836000  1.0
  O  O25  1  0.74880400  0.26294800  0.99836000  1.0
  O  O26  1  0.24918900  0.73699100  0.00121000  1.0
  O  O27  1  0.75081100  0.73699100  0.00121000  1.0
  O  O28  1  0.24875600  0.23717000  0.50146100  1.0
  O  O29  1  0.75124400  0.23717000  0.50146100  1.0
  O  O30  1  0.25273900  0.76188800  0.49870700  1.0
  O  O31  1  0.74726100  0.76188800  0.49870700  1.0
  O  O32  1  0.50000000  0.99746300  0.00060500  1.0
  O  O33  1  0.00000000  0.99439300  0.00030300  1.0
  O  O34  1  0.50000000  0.50188200  0.00046200  1.0
  O  O35  1  0.00000000  0.50353800  0.00013000  1.0
  O  O36  1  0.50000000  0.00040500  0.49923400  1.0
  O  O37  1  0.00000000  0.98887900  0.49971900  1.0
  O  O38  1  0.50000000  0.49662100  0.50087700  1.0
  O  O39  1  0.00000000  0.52079100  0.49991500  1.0