data_[Fe3F11]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [7.4357]
_cell_length_b [7.4357]
_cell_length_c [17.5638]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Fe3F11]
_chemical_formula_sum '[Fe3 F11]'
_cell_volume [840.9892]
_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
[
  Fe  Fe0  2  0.3333  0.6667  0.4699  1
  Fe  Fe1  1  0.0000  0.0000  0.5623  1
  F  F2  6  0.1952  0.4047  0.4351  1
  F  F3  3  0.0000  0.7654  0.5811  1
  F  F4  2  0.3333  0.6667  0.5720  1
]