data_[Mn6O5F7]
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 [Pm]
_cell_length_a [4.7322]
_cell_length_b [9.4933]
_cell_length_c [4.7717]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.4867]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Mn6O5F7]
_chemical_formula_sum '[Mn6 O5 F7]'
_cell_volume [213.7047]
_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  2  0.0124  0.3391  0.0252  1.0
  Mn  Mn1  2  0.4819  0.1582  0.4918  1.0
  Mn  Mn2  1  0.5108  0.5000  0.4590  1.0
  Mn  Mn3  1  0.9816  0.0000  0.9939  1.0
  O  O4  2  0.3168  0.3250  0.3072  1.0
  O  O5  1  0.2812  0.0000  0.2955  1.0
  O  O6  1  0.6789  0.0000  0.6931  1.0
  O  O7  1  0.8330  0.5000  0.1885  1.0
  F  F8  2  0.1797  0.1744  0.8185  1.0
  F  F9  2  0.7073  0.3263  0.7047  1.0
  F  F10  2  0.7988  0.1642  0.1941  1.0
  F  F11  1  0.2205  0.5000  0.7868  1.0
]