# generated using pymatgen
data_Sr2Ca2Mn(FeO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.73477500
_cell_length_b   7.75033300
_cell_length_c   7.75048700
_cell_angle_alpha   89.99879502
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2Ca2Mn(FeO4)3
_chemical_formula_sum   'Sr4 Ca4 Mn2 Fe6 O24'
_cell_volume   464.61907919
_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  0.25015700  0.25020100  1.0
  Sr  Sr1  1  0.50000000  0.74984400  0.25020100  1.0
  Sr  Sr2  1  0.00000000  0.74981800  0.25019700  1.0
  Sr  Sr3  1  0.00000000  0.25016400  0.74978800  1.0
  Ca  Ca4  1  0.50000000  0.25016800  0.74979800  1.0
  Ca  Ca5  1  0.50000000  0.74983500  0.74980000  1.0
  Ca  Ca6  1  0.00000000  0.25017100  0.25019600  1.0
  Ca  Ca7  1  0.00000000  0.74984400  0.74979300  1.0
  Mn  Mn8  1  0.24998200  0.50000500  0.50064300  1.0
  Mn  Mn9  1  0.75001800  0.50000500  0.50064300  1.0
  Fe  Fe10  1  0.24998700  0.00000700  0.99936100  1.0
  Fe  Fe11  1  0.24999200  0.49999100  0.99933700  1.0
  Fe  Fe12  1  0.24999200  0.00000700  0.50064700  1.0
  Fe  Fe13  1  0.75001300  0.00000700  0.99936100  1.0
  Fe  Fe14  1  0.75000800  0.49999100  0.99933700  1.0
  Fe  Fe15  1  0.75000800  0.00000700  0.50064700  1.0
  O  O16  1  0.50000000  0.00000900  0.99747200  1.0
  O  O17  1  0.50000000  0.49999000  0.99750000  1.0
  O  O18  1  0.50000000  0.00000600  0.50251600  1.0
  O  O19  1  0.50000000  0.49998900  0.50255300  1.0
  O  O20  1  0.00000000  0.99999400  0.99982400  1.0
  O  O21  1  0.00000000  0.50000700  0.99981900  1.0
  O  O22  1  0.00000000  0.99999600  0.50016300  1.0
  O  O23  1  0.00000000  0.50000800  0.50012700  1.0
  O  O24  1  0.24882000  0.00116800  0.24922800  1.0
  O  O25  1  0.24879300  0.49880600  0.25240900  1.0
  O  O26  1  0.25115700  0.99884400  0.75076800  1.0
  O  O27  1  0.25118200  0.50117600  0.74758100  1.0
  O  O28  1  0.75118000  0.00116800  0.24922800  1.0
  O  O29  1  0.75120700  0.49880600  0.25240900  1.0
  O  O30  1  0.74884300  0.99884400  0.75076800  1.0
  O  O31  1  0.74881800  0.50117600  0.74758100  1.0
  O  O32  1  0.25001800  0.24924300  0.99981800  1.0
  O  O33  1  0.24998000  0.75075200  0.99748700  1.0
  O  O34  1  0.25000200  0.25243200  0.50018900  1.0
  O  O35  1  0.24999500  0.74756900  0.50255600  1.0
  O  O36  1  0.74998200  0.24924300  0.99981800  1.0
  O  O37  1  0.75002000  0.75075200  0.99748700  1.0
  O  O38  1  0.74999800  0.25243200  0.50018900  1.0
  O  O39  1  0.75000500  0.74756900  0.50255600  1.0