data_[Mn6O7F5]
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 [4.6930]
_cell_length_b [5.6409]
_cell_length_c [7.6702]
_cell_angle_alpha [85.2975]
_cell_angle_beta [87.7921]
_cell_angle_gamma [85.9317]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Mn6O7F5]
_chemical_formula_sum '[Mn6 O7 F5]'
_cell_volume [201.7495]
_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  0.0208  0.3375  0.6821  1.0
  Mn  Mn1  1  0.4972  0.1676  0.3379  1.0
  Mn  Mn2  1  0.5052  0.4923  0.0031  1.0
  Mn  Mn3  1  0.5125  0.8315  0.6539  1.0
  Mn  Mn4  1  0.9813  0.6587  0.3167  1.0
  Mn  Mn5  1  0.9835  0.0114  0.0068  1.0
  O  O6  1  0.1861  0.2826  0.9051  1.0
  O  O7  1  0.3051  0.1234  0.5676  1.0
  O  O8  1  0.3127  0.4689  0.2323  1.0
  O  O9  1  0.6886  0.5318  0.7683  1.0
  O  O10  1  0.6933  0.2072  0.1094  1.0
  O  O11  1  0.7018  0.8729  0.4271  1.0
  O  O12  1  0.8122  0.7186  0.0947  1.0
  F  F13  1  0.1872  0.6386  0.5496  1.0
  F  F14  1  0.2001  0.9730  0.2216  1.0
  F  F15  1  0.2987  0.7987  0.8929  1.0
  F  F16  1  0.7998  0.0242  0.7785  1.0
  F  F17  1  0.8141  0.3611  0.4524  1.0
]