data_[Li1Mn7O3F9]
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 [6.3539]
_cell_length_b [6.4127]
_cell_length_c [6.4410]
_cell_angle_alpha [89.9027]
_cell_angle_beta [89.6229]
_cell_angle_gamma [89.8631]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiMn7(OF3)3]
_chemical_formula_sum '[Li1 Mn7 O3 F9]'
_cell_volume [262.4324]
_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  0.5110  0.4922  0.5106  1.0
  Mn  Mn1  1  0.0623  0.5662  0.2442  1.0
  Mn  Mn2  1  0.2381  0.9267  0.5472  1.0
  Mn  Mn3  1  0.4337  0.2625  0.0587  1.0
  Mn  Mn4  1  0.5691  0.7677  0.9478  1.0
  Mn  Mn5  1  0.7425  0.0362  0.4151  1.0
  Mn  Mn6  1  0.9586  0.4284  0.7535  1.0
  Mn  Mn7  1  0.9877  0.0299  0.0292  1.0
  O  O8  1  0.0278  0.8792  0.3164  1.0
  O  O9  1  0.1157  0.3323  0.0290  1.0
  O  O10  1  0.6604  0.0422  0.0979  1.0
  F  F11  1  0.2035  0.5685  0.5723  1.0
  F  F12  1  0.2880  0.9359  0.8768  1.0
  F  F13  1  0.4241  0.1902  0.4468  1.0
  F  F14  1  0.4434  0.5803  0.2004  1.0
  F  F15  1  0.5674  0.8071  0.5911  1.0
  F  F16  1  0.5991  0.4422  0.8172  1.0
  F  F17  1  0.8192  0.4092  0.4355  1.0
  F  F18  1  0.9034  0.7061  0.9257  1.0
  F  F19  1  0.9449  0.0969  0.6846  1.0
]