data_[Ba10Mg1Mn6O24F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mg  1.3100  1.5000  0.8600
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [8.1845]
_cell_length_b [10.4484]
_cell_length_c [10.4934]
_cell_angle_alpha [119.0268]
_cell_angle_beta [90.2571]
_cell_angle_gamma [91.8880]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ba10MgMn6(O12F)2]
_chemical_formula_sum '[Ba10 Mg1 Mn6 O24 F2]'
_cell_volume [783.9805]
_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
[
  Ba  Ba0  1  0.0170  0.6749  0.3377  1
  Ba  Ba1  1  0.1701  0.2599  0.0214  1
  Ba  Ba2  1  0.2516  0.0115  0.2385  1
  Ba  Ba3  1  0.2607  0.7302  0.7464  1
  Ba  Ba4  1  0.4912  0.3278  0.6601  1
  Ba  Ba5  1  0.5114  0.6821  0.3353  1
  Ba  Ba6  1  0.7402  0.2528  0.2340  1
  Ba  Ba7  1  0.7620  0.7422  0.0060  1
  Ba  Ba8  1  0.8306  0.9789  0.7412  1
  Ba  Ba9  1  0.9733  0.3490  0.6705  1
  Mg  Mg10  1  0.4634  0.0755  0.8454  1
  Mn  Mn11  1  0.2392  0.3973  0.3808  1
  Mn  Mn12  1  0.2565  0.6323  0.0267  1
  Mn  Mn13  1  0.2827  0.9661  0.5969  1
  Mn  Mn14  1  0.7482  0.6068  0.6299  1
  Mn  Mn15  1  0.7493  0.3607  0.9679  1
  Mn  Mn16  1  0.7520  0.0313  0.3956  1
  O  O17  1  0.0542  0.3788  0.2928  1
  O  O18  1  0.0878  0.7402  0.0771  1
  O  O19  1  0.1046  0.8798  0.6243  1
  O  O20  1  0.2321  0.3291  0.5007  1
  O  O21  1  0.2516  0.5177  0.8412  1
  O  O22  1  0.2598  0.5419  0.1276  1
  O  O23  1  0.2655  0.8881  0.4033  1
  O  O24  1  0.2912  0.5810  0.4631  1
  O  O25  1  0.3175  0.1557  0.7514  1
  O  O26  1  0.3744  0.2978  0.2490  1
  O  O27  1  0.4228  0.7528  0.0789  1
  O  O28  1  0.4578  0.8995  0.6510  1
  O  O29  1  0.5823  0.0807  0.3338  1
  O  O30  1  0.5932  0.6766  0.7519  1
  O  O31  1  0.6435  0.1921  0.9596  1
  O  O32  1  0.7130  0.4617  0.8720  1
  O  O33  1  0.7264  0.4187  0.5344  1
  O  O34  1  0.7440  0.1140  0.5835  1
  O  O35  1  0.7581  0.4788  0.1583  1
  O  O36  1  0.7613  0.6836  0.5184  1
  O  O37  1  0.7636  0.8428  0.3135  1
  O  O38  1  0.9200  0.1038  0.3534  1
  O  O39  1  0.9242  0.6494  0.7377  1
  O  O40  1  0.9305  0.2753  0.8782  1
  F  F41  1  0.3351  0.0086  0.9581  1
  F  F42  1  0.9441  0.0410  0.0088  1
]