# generated using pymatgen
data_Sr4Ca4Mn5(FeO8)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.71418600
_cell_length_b   7.71453125
_cell_length_c   7.75572800
_cell_angle_alpha   89.99896568
_cell_angle_beta   89.99976360
_cell_angle_gamma   89.98530941
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr4Ca4Mn5(FeO8)3
_chemical_formula_sum   'Sr4 Ca4 Mn5 Fe3 O24'
_cell_volume   461.55366542
_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  0.74961700  0.25034200  0.25085600  1.0
  Sr  Sr1  1  0.25041700  0.25037600  0.25064500  1.0
  Sr  Sr2  1  0.25049400  0.25035400  0.74931500  1.0
  Sr  Sr3  1  0.74955300  0.74962500  0.74928500  1.0
  Ca  Ca4  1  0.74927400  0.74944800  0.25103700  1.0
  Ca  Ca5  1  0.25073300  0.74944600  0.25132200  1.0
  Ca  Ca6  1  0.74928200  0.25054800  0.74878300  1.0
  Ca  Ca7  1  0.25059900  0.74947300  0.74873200  1.0
  Mn  Mn8  1  0.50004300  0.50128800  0.99996500  1.0
  Mn  Mn9  1  0.99994300  0.99884900  0.50006600  1.0
  Mn  Mn10  1  0.50005900  0.99858300  0.50007000  1.0
  Mn  Mn11  1  0.99995500  0.50142400  0.50006600  1.0
  Mn  Mn12  1  0.50006200  0.50118200  0.50008800  1.0
  Fe  Fe13  1  0.99996000  0.99865800  0.99995500  1.0
  Fe  Fe14  1  0.50003900  0.99866500  0.99996600  1.0
  Fe  Fe15  1  0.99996000  0.50128000  0.99997400  1.0
  O  O16  1  0.99994100  0.99453600  0.25250100  1.0
  O  O17  1  0.50003800  0.99474700  0.25429400  1.0
  O  O18  1  0.99994600  0.50520300  0.25431700  1.0
  O  O19  1  0.49998500  0.50610000  0.25073000  1.0
  O  O20  1  0.00010700  0.99869100  0.74750700  1.0
  O  O21  1  0.49993100  0.99876600  0.74568200  1.0
  O  O22  1  0.00008700  0.50121500  0.74567200  1.0
  O  O23  1  0.49999500  0.50089700  0.74923800  1.0
  O  O24  1  0.99811200  0.24834900  0.99807200  1.0
  O  O25  1  0.50203100  0.25266900  0.99797600  1.0
  O  O26  1  0.00170600  0.75161100  0.00175400  1.0
  O  O27  1  0.49814200  0.74716400  0.00186700  1.0
  O  O28  1  0.99736200  0.24957700  0.50249300  1.0
  O  O29  1  0.50265800  0.25029400  0.50265000  1.0
  O  O30  1  0.00256100  0.75046100  0.49765500  1.0
  O  O31  1  0.49740700  0.74976900  0.49744000  1.0
  O  O32  1  0.75162100  0.99871800  0.00007500  1.0
  O  O33  1  0.24837000  0.99510400  0.99996600  1.0
  O  O34  1  0.74724100  0.50127200  0.00007400  1.0
  O  O35  1  0.25276000  0.50514600  0.99995900  1.0
  O  O36  1  0.75042500  0.99929200  0.49994000  1.0
  O  O37  1  0.24956900  0.99410600  0.50004600  1.0
  O  O38  1  0.74973300  0.50076200  0.49994900  1.0
  O  O39  1  0.25028100  0.50600900  0.50001800  1.0