data_[Mn6O1F11]
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 [4.9121]
_cell_length_b [5.9323]
_cell_length_c [8.2558]
_cell_angle_alpha [87.8692]
_cell_angle_beta [89.0429]
_cell_angle_gamma [89.0651]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Mn6OF11]
_chemical_formula_sum '[Mn6 O1 F11]'
_cell_volume [240.3467]
_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  0.0101  0.6614  0.3281  1.0
  Mn  Mn1  1  0.4980  0.1675  0.3361  1.0
  Mn  Mn2  1  0.5011  0.8343  0.6678  1.0
  Mn  Mn3  1  0.5161  0.4875  0.9931  1.0
  Mn  Mn4  1  0.9815  0.3377  0.6819  1.0
  Mn  Mn5  1  0.9823  0.0193  0.9971  1.0
  O  O6  1  0.7891  0.3061  0.8987  1.0
  F  F7  1  0.1883  0.3662  0.4452  1.0
  F  F8  1  0.1925  0.0367  0.7671  1.0
  F  F9  1  0.2155  0.6961  0.0919  1.0
  F  F10  1  0.3063  0.8675  0.4334  1.0
  F  F11  1  0.3065  0.5347  0.7698  1.0
  F  F12  1  0.3088  0.2080  0.1007  1.0
  F  F13  1  0.6928  0.4657  0.2280  1.0
  F  F14  1  0.6959  0.7890  0.9021  1.0
  F  F15  1  0.6997  0.1290  0.5640  1.0
  F  F16  1  0.8049  0.6321  0.5623  1.0
  F  F17  1  0.8105  0.9611  0.2329  1.0
]