data_[Li4Mn1F8]
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]
_cell_length_a [5.1173]
_cell_length_b [6.0576]
_cell_length_c [5.1938]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0232]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [Li4MnF8]
_chemical_formula_sum '[Li4 Mn1 F8]'
_cell_volume [150.2846]
_cell_formula_units_Z [1]
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  1  0.0000  0.1813  0.5000  1.0
  Li  Li1  1  0.5000  0.2358  0.0000  1.0
  Li  Li2  1  0.5000  0.7927  0.0000  1.0
  Li  Li3  1  0.5000  0.9898  0.5000  1.0
  Mn  Mn4  1  0.5000  0.5031  0.5000  1.0
  F  F5  2  0.2690  0.2819  0.2873  1.0
  F  F6  2  0.2893  0.7223  0.2764  1.0
  F  F7  2  0.2974  0.4921  0.7310  1.0
  F  F8  2  0.2976  0.0204  0.7434  1.0
]