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 [Pm]
_cell_length_a [4.7629]
_cell_length_b [9.1082]
_cell_length_c [4.7630]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.9056]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Mn6O7F5]
_chemical_formula_sum '[Mn6 O7 F5]'
_cell_volume [205.5293]
_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  0.0111  0.1748  0.9805  1.0
  Mn  Mn1  2  0.4760  0.3252  0.5108  1.0
  Mn  Mn2  1  0.0290  0.5000  0.0179  1.0
  Mn  Mn3  1  0.5058  0.0000  0.4870  1.0
  O  O4  2  0.1805  0.3449  0.8294  1.0
  O  O5  2  0.3025  0.1658  0.2970  1.0
  O  O6  2  0.6943  0.1683  0.6864  1.0
  O  O7  1  0.2986  0.5000  0.3253  1.0
  F  F8  2  0.8080  0.3501  0.2001  1.0
  F  F9  1  0.2004  0.0000  0.7894  1.0
  F  F10  1  0.6908  0.5000  0.7147  1.0
  F  F11  1  0.8305  0.0000  0.1572  1.0
]