data_[Li4Fe2F10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Fe  1.8300  1.4000  0.8525
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1380]
_cell_length_b [5.6926]
_cell_length_c [7.2133]
_cell_angle_alpha [108.9313]
_cell_angle_beta [90.2794]
_cell_angle_gamma [116.3147]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2FeF5]
_chemical_formula_sum '[Li4 Fe2 F10]'
_cell_volume [176.1135]
_cell_formula_units_Z [2]
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  0.1511  0.2866  0.2168  1.0
  Li  Li1  1  0.5000  0.0000  0.0000  1.0
  Li  Li2  1  0.5000  0.0000  0.5000  1.0
  Fe  Fe3  2  0.1250  0.2469  0.7251  1.0
  F  F4  2  0.0681  0.8374  0.5531  1.0
  F  F5  2  0.1496  0.6076  0.8352  1.0
  F  F6  2  0.2523  0.1830  0.9479  1.0
  F  F7  2  0.2789  0.9762  0.2456  1.0
  F  F8  2  0.4921  0.6338  0.3490  1.0
]