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 [P2_1/c]
_cell_length_a [3.8031]
_cell_length_b [10.2250]
_cell_length_c [6.9453]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.6770]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiMnF3]
_chemical_formula_sum '[Li4 Mn4 F12]'
_cell_volume [269.7845]
_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  4  0.2721  0.5446  0.7918  1.0
  Mn  Mn1  4  0.2482  0.2207  0.9801  1.0
  F  F2  4  0.2191  0.1080  0.6583  1.0
  F  F3  4  0.2532  0.6441  0.5564  1.0
  F  F4  4  0.2896  0.1353  0.2628  1.0
]