data_[Li1Mn6O5F7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [5.8109]
_cell_length_b [5.8816]
_cell_length_c [7.3248]
_cell_angle_alpha [73.2655]
_cell_angle_beta [72.3409]
_cell_angle_gamma [75.9052]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiMn6O5F7]
_chemical_formula_sum '[Li1 Mn6 O5 F7]'
_cell_volume [225.0723]
_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
[
  Li  Li0  1  0.3385  0.8226  0.6655  1.0
  Mn  Mn1  1  0.2897  0.3403  0.1617  1.0
  Mn  Mn2  1  0.3278  0.3265  0.6792  1.0
  Mn  Mn3  1  0.6862  0.6450  0.3310  1.0
  Mn  Mn4  1  0.7072  0.6301  0.8468  1.0
  Mn  Mn5  1  0.9629  0.0535  0.5103  1.0
  Mn  Mn6  1  0.9902  0.0075  0.0033  1.0
  O  O7  1  0.0910  0.1147  0.7141  1.0
  O  O8  1  0.2056  0.2393  0.9679  1.0
  O  O9  1  0.5732  0.5303  0.6277  1.0
  O  O10  1  0.7863  0.7673  0.0455  1.0
  O  O11  1  0.9663  0.3751  0.3256  1.0
  F  F12  1  0.0547  0.6726  0.6568  1.0
  F  F13  1  0.3158  0.6997  0.9780  1.0
  F  F14  1  0.3834  0.9361  0.3631  1.0
  F  F15  1  0.4088  0.4147  0.3717  1.0
  F  F16  1  0.6048  0.9960  0.6655  1.0
  F  F17  1  0.6521  0.2878  0.0298  1.0
  F  F18  1  0.9160  0.9118  0.2973  1.0
]