data_[Sr8Mg1Mn6O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mg  1.3100  1.5000  0.8600
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.6862]
_cell_length_b [6.6730]
_cell_length_c [14.2205]
_cell_angle_alpha [85.6465]
_cell_angle_beta [83.8968]
_cell_angle_gamma [67.1379]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Sr8MgMn6O20]
_chemical_formula_sum '[Sr8 Mg1 Mn6 O20]'
_cell_volume [494.0233]
_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  0.2125  0.5248  0.6618  1
  Sr  Sr1  1  0.2352  0.5020  0.1345  1
  Sr  Sr2  1  0.5220  0.9260  0.1319  1
  Sr  Sr3  1  0.5617  0.0583  0.8742  1
  Sr  Sr4  1  0.7026  0.4905  0.3418  1
  Sr  Sr5  1  0.7999  0.1944  0.5749  1
  Sr  Sr6  1  0.8439  0.4617  0.9240  1
  Sr  Sr7  1  0.9777  0.9070  0.3555  1
  Mg  Mg8  1  0.1286  0.0262  0.7366  1
  Mn  Mn9  1  0.0367  0.9897  0.0046  1
  Mn  Mn10  1  0.2565  0.6905  0.8768  1
  Mn  Mn11  1  0.3303  0.2215  0.3387  1
  Mn  Mn12  1  0.4435  0.9903  0.4979  1
  Mn  Mn13  1  0.6388  0.7819  0.6546  1
  Mn  Mn14  1  0.8661  0.2298  0.1546  1
  O  O15  1  0.0220  0.0843  0.8706  1
  O  O16  1  0.0284  0.9063  0.1367  1
  O  O17  1  0.1109  0.1725  0.4482  1
  O  O18  1  0.1253  0.1782  0.2529  1
  O  O19  1  0.1290  0.2190  0.0446  1
  O  O20  1  0.1760  0.5254  0.3194  1
  O  O21  1  0.2662  0.4335  0.8307  1
  O  O22  1  0.3678  0.1067  0.6324  1
  O  O23  1  0.3985  0.7515  0.5699  1
  O  O24  1  0.4012  0.7904  0.9770  1
  O  O25  1  0.4460  0.7846  0.7752  1
  O  O26  1  0.5093  0.8867  0.3718  1
  O  O27  1  0.5470  0.2249  0.4416  1
  O  O28  1  0.6051  0.1862  0.2430  1
  O  O29  1  0.6830  0.1842  0.0257  1
  O  O30  1  0.7218  0.5351  0.1638  1
  O  O31  1  0.7893  0.8379  0.5325  1
  O  O32  1  0.8134  0.4823  0.6693  1
  O  O33  1  0.8696  0.8987  0.7125  1
  O  O34  1  0.9700  0.7429  0.9698  1
]