# generated using pymatgen
data_Sr2Ca6Mn5(FeO8)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.68521703
_cell_length_b   7.68521703
_cell_length_c   7.72217000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.01944207
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2Ca6Mn5(FeO8)3
_chemical_formula_sum   'Sr2 Ca6 Mn5 Fe3 O24'
_cell_volume   456.09110910
_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
  Sr  Sr0  1  0.74937300  0.25062700  0.74953500  1.0
  Sr  Sr1  1  0.74937300  0.25062700  0.25046500  1.0
  Ca  Ca2  1  0.25085400  0.25092000  0.74873600  1.0
  Ca  Ca3  1  0.25092800  0.74907200  0.74912600  1.0
  Ca  Ca4  1  0.74908000  0.74914600  0.74873600  1.0
  Ca  Ca5  1  0.25085400  0.25092000  0.25126400  1.0
  Ca  Ca6  1  0.25092800  0.74907200  0.25087400  1.0
  Ca  Ca7  1  0.74908000  0.74914600  0.25126400  1.0
  Mn  Mn8  1  0.49897600  0.50102400  0.00000000  1.0
  Mn  Mn9  1  0.00090500  0.99909500  0.50000000  1.0
  Mn  Mn10  1  0.49877500  0.99881900  0.50000000  1.0
  Mn  Mn11  1  0.00118100  0.50122500  0.50000000  1.0
  Mn  Mn12  1  0.49916200  0.50083800  0.50000000  1.0
  Fe  Fe13  1  0.00136500  0.99863500  0.00000000  1.0
  Fe  Fe14  1  0.49869900  0.99864900  0.00000000  1.0
  Fe  Fe15  1  0.00135100  0.50130100  0.00000000  1.0
  O  O16  1  0.00408600  0.99591400  0.74748800  1.0
  O  O17  1  0.49624300  0.99614900  0.74598000  1.0
  O  O18  1  0.00385100  0.50375700  0.74598000  1.0
  O  O19  1  0.49578000  0.50422000  0.74974700  1.0
  O  O20  1  0.00408600  0.99591400  0.25251200  1.0
  O  O21  1  0.49624300  0.99614900  0.25402000  1.0
  O  O22  1  0.00385100  0.50375700  0.25402000  1.0
  O  O23  1  0.49578000  0.50422000  0.25025300  1.0
  O  O24  1  0.00543900  0.24851800  0.00000000  1.0
  O  O25  1  0.49421200  0.25274600  0.00000000  1.0
  O  O26  1  0.00206700  0.75124500  0.00000000  1.0
  O  O27  1  0.49794700  0.74770600  0.00000000  1.0
  O  O28  1  0.00690700  0.24950800  0.50000000  1.0
  O  O29  1  0.49308400  0.25012600  0.50000000  1.0
  O  O30  1  0.00124900  0.75054400  0.50000000  1.0
  O  O31  1  0.49863700  0.74995300  0.50000000  1.0
  O  O32  1  0.24875500  0.99793300  0.00000000  1.0
  O  O33  1  0.75148200  0.99456100  0.00000000  1.0
  O  O34  1  0.25229400  0.50205300  0.00000000  1.0
  O  O35  1  0.74725400  0.50578800  0.00000000  1.0
  O  O36  1  0.24945600  0.99875100  0.50000000  1.0
  O  O37  1  0.75049200  0.99309300  0.50000000  1.0
  O  O38  1  0.25004700  0.50136300  0.50000000  1.0
  O  O39  1  0.74987400  0.50691600  0.50000000  1.0