data_[Li6Mn6F18]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5783]
_cell_length_b [6.7634]
_cell_length_c [8.9264]
_cell_angle_alpha [90.5661]
_cell_angle_beta [107.6583]
_cell_angle_gamma [98.9174]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiMnF3]
_chemical_formula_sum '[Li6 Mn6 F18]'
_cell_volume [373.1821]
_cell_formula_units_Z [6]
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  2  0.0232  0.8976  0.3001  1
  Li  Li1  2  0.2218  0.3038  0.0179  1
  Li  Li2  2  0.3478  0.4390  0.7376  1
  Mn  Mn3  2  0.2118  0.3619  0.4065  1
  Mn  Mn4  2  0.2726  0.7996  0.9983  1
  Mn  Mn5  2  0.4206  0.9273  0.6648  1
  F  F6  2  0.0437  0.8356  0.1056  1
  F  F7  2  0.0785  0.3096  0.5854  1
  F  F8  2  0.1393  0.8803  0.7382  1
  F  F9  2  0.1689  0.4150  0.1862  1
  F  F10  2  0.2912  0.5254  0.9096  1
  F  F11  2  0.2957  0.0477  0.4294  1
  F  F12  2  0.4143  0.6187  0.5838  1
  F  F13  2  0.4202  0.1191  0.0875  1
  F  F14  2  0.4957  0.2211  0.7661  1
]