data_[Li3Mn3Fe3F18]
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
  Fe  1.8300  1.4000  0.8525
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P321]
_cell_length_a [8.8419]
_cell_length_b [8.8419]
_cell_length_c [4.7276]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [150]
_chemical_formula_structural [LiMnFeF6]
_chemical_formula_sum '[Li3 Mn3 Fe3 F18]'
_cell_volume [320.0801]
_cell_formula_units_Z [3]
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  0.3333  0.6667  0.5046  1
  Li  Li1  1  0.0000  0.0000  0.0000  1
  Mn  Mn2  3  0.0000  0.3541  0.0000  1
  Fe  Fe3  3  0.0000  0.6869  0.5000  1
  F  F4  6  0.1081  0.8862  0.7569  1
  F  F5  6  0.1083  0.5768  0.7285  1
  F  F6  6  0.2159  0.7784  0.2783  1
]