data_[Li4Mn4F16]
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 [Cc]
_cell_length_a [11.2790]
_cell_length_b [5.5028]
_cell_length_c [4.9276]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.6972]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [LiMnF4]
_chemical_formula_sum '[Li4 Mn4 F16]'
_cell_volume [277.8585]
_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  0.4953  0.1805  0.2441  1.0
  Mn  Mn1  4  0.2455  0.2532  0.4986  1.0
  F  F2  4  0.1019  0.3775  0.1842  1.0
  F  F3  4  0.1435  0.1309  0.6850  1.0
  F  F4  4  0.3458  0.3911  0.3143  1.0
  F  F5  4  0.3857  0.1035  0.8075  1.0
]