# generated using pymatgen
data_Sr3Ca5Mn4(FeO6)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.72762790
_cell_length_b   7.72762790
_cell_length_c   7.72257776
_cell_angle_alpha   89.98204423
_cell_angle_beta   89.98204423
_cell_angle_gamma   89.97925957
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3Ca5Mn4(FeO6)4
_chemical_formula_sum   'Sr3 Ca5 Mn4 Fe4 O24'
_cell_volume   461.16317679
_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  0.25055700  0.74951400  0.74932400  1.0
  Sr  Sr1  1  0.25047100  0.25047100  0.74936200  1.0
  Sr  Sr2  1  0.74951400  0.25055700  0.74932400  1.0
  Ca  Ca3  1  0.25086300  0.74912400  0.25087900  1.0
  Ca  Ca4  1  0.25092500  0.25092500  0.25086800  1.0
  Ca  Ca5  1  0.74916200  0.74916200  0.74905800  1.0
  Ca  Ca6  1  0.74910300  0.74910300  0.25094000  1.0
  Ca  Ca7  1  0.74912400  0.25086300  0.25087900  1.0
  Mn  Mn8  1  0.99913500  0.50072000  0.49801000  1.0
  Mn  Mn9  1  0.50074500  0.50074500  0.00258000  1.0
  Mn  Mn10  1  0.50072000  0.99913500  0.49801000  1.0
  Mn  Mn11  1  0.50067400  0.50067400  0.49790800  1.0
  Fe  Fe12  1  0.99921600  0.99921600  0.00237000  1.0
  Fe  Fe13  1  0.99923300  0.50077700  0.00233800  1.0
  Fe  Fe14  1  0.99918100  0.99918100  0.49771700  1.0
  Fe  Fe15  1  0.50077700  0.99923300  0.00233800  1.0
  O  O16  1  0.24614900  0.99926900  0.00641800  1.0
  O  O17  1  0.25323300  0.50038300  0.00669500  1.0
  O  O18  1  0.25254500  0.99944300  0.49299500  1.0
  O  O19  1  0.25092100  0.50041900  0.49284300  1.0
  O  O20  1  0.75374400  0.99722200  0.00424000  1.0
  O  O21  1  0.74678500  0.50322800  0.00420400  1.0
  O  O22  1  0.74748600  0.99701400  0.49590100  1.0
  O  O23  1  0.74912900  0.50329400  0.49576000  1.0
  O  O24  1  0.99709000  0.99709000  0.75388900  1.0
  O  O25  1  0.99688400  0.50335800  0.74648200  1.0
  O  O26  1  0.99922300  0.99922300  0.24644000  1.0
  O  O27  1  0.99936900  0.50049400  0.25344400  1.0
  O  O28  1  0.50335800  0.99688400  0.74648200  1.0
  O  O29  1  0.50343700  0.50343700  0.74891000  1.0
  O  O30  1  0.50049400  0.99936900  0.25344400  1.0
  O  O31  1  0.50047900  0.50047900  0.25089200  1.0
  O  O32  1  0.99722200  0.75374400  0.00424000  1.0
  O  O33  1  0.99926900  0.24614900  0.00641800  1.0
  O  O34  1  0.99701400  0.74748600  0.49590100  1.0
  O  O35  1  0.99944300  0.25254500  0.49299500  1.0
  O  O36  1  0.50322800  0.74678500  0.00420400  1.0
  O  O37  1  0.50038300  0.25323300  0.00669500  1.0
  O  O38  1  0.50329400  0.74912900  0.49576000  1.0
  O  O39  1  0.50041900  0.25092100  0.49284300  1.0