data_[Li4Mn4F12]
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 [Amm2]
_cell_length_a [3.2425]
_cell_length_b [7.5853]
_cell_length_c [10.3524]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [LiMnF3]
_chemical_formula_sum '[Li4 Mn4 F12]'
_cell_volume [254.6175]
_cell_formula_units_Z [4]
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  0.0000  0.0000  0.0080  1.0
  Li  Li1  2  0.0000  0.0000  0.5002  1.0
  Mn  Mn2  4  0.5000  0.2482  0.7511  1.0
  F  F3  4  0.0000  0.1778  0.3717  1.0
  F  F4  4  0.0000  0.1795  0.6283  1.0
  F  F5  2  0.5000  0.0000  0.1385  1.0
  F  F6  2  0.5000  0.0000  0.8623  1.0
]