data_[Ca6Mn4Fe4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Mn  1.5500  1.4000  0.6483
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [5.6202]
_cell_length_b [5.4166]
_cell_length_c [15.3479]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1222]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [Ca3Mn2(FeO5)2]
_chemical_formula_sum '[Ca6 Mn4 Fe4 O20]'
_cell_volume [438.7081]
_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
[
  Ca  Ca0  2  0.4268  0.2657  0.3889  1
  Ca  Ca1  2  0.5749  0.2359  0.6095  1
  Ca  Ca2  2  0.8772  0.2397  0.9041  1
  Mn  Mn3  2  0.0076  0.2554  0.5058  1
  Mn  Mn4  2  0.4993  0.2470  0.0061  1
  Fe  Fe5  2  0.1763  0.1915  0.7486  1
  Fe  Fe6  2  0.8332  0.3047  0.2472  1
  O  O7  2  0.1371  0.1534  0.2534  1
  O  O8  2  0.1982  0.2669  0.6337  1
  O  O9  2  0.2310  0.4972  0.4802  1
  O  O10  2  0.2396  0.0125  0.4798  1
  O  O11  2  0.4291  0.2715  0.8625  1
  O  O12  2  0.5769  0.2237  0.1357  1
  O  O13  2  0.7401  0.0113  0.5077  1
  O  O14  2  0.7420  0.4892  0.5115  1
  O  O15  2  0.8101  0.2346  0.3647  1
  O  O16  2  0.8654  0.3371  0.7520  1
]