data_[Mn7O3F9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [6.2512]
_cell_length_b [6.4280]
_cell_length_c [6.4526]
_cell_angle_alpha [89.5758]
_cell_angle_beta [89.3861]
_cell_angle_gamma [89.9116]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Mn7(OF3)3]
_chemical_formula_sum '[Mn7 O3 F9]'
_cell_volume [259.2595]
_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
[
  Mn  Mn0  1  0.0059  0.0245  0.9649  1.0
  Mn  Mn1  1  0.0489  0.4216  0.2481  1.0
  Mn  Mn2  1  0.2605  0.0502  0.5809  1.0
  Mn  Mn3  1  0.4258  0.7661  0.0593  1.0
  Mn  Mn4  1  0.5597  0.2699  0.9318  1.0
  Mn  Mn5  1  0.7657  0.9162  0.4567  1.0
  Mn  Mn6  1  0.9364  0.5586  0.7538  1.0
  O  O7  1  0.3048  0.0523  0.9169  1.0
  O  O8  1  0.8953  0.3188  0.9733  1.0
  O  O9  1  0.9831  0.8792  0.6957  1.0
  F  F10  1  0.0380  0.0790  0.3084  1.0
  F  F11  1  0.0859  0.7062  0.0694  1.0
  F  F12  1  0.1572  0.3742  0.5701  1.0
  F  F13  1  0.3872  0.4377  0.1622  1.0
  F  F14  1  0.4366  0.8506  0.3812  1.0
  F  F15  1  0.5856  0.5979  0.8235  1.0
  F  F16  1  0.5960  0.1595  0.6108  1.0
  F  F17  1  0.7132  0.9522  0.0810  1.0
  F  F18  1  0.8225  0.5924  0.4220  1.0
]