data_[Sr1Fe1F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Fe  1.8300  1.4000  0.8525
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.0243]
_cell_length_b [3.4624]
_cell_length_c [5.0708]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3977]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [SrFeF4]
_chemical_formula_sum '[Sr1 Fe1 F4]'
_cell_volume [88.2095]
_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
[
  Sr  Sr0  1  0.0000  0.5000  0.0000  1
  Fe  Fe1  1  0.5000  0.0000  0.5000  1
  F  F2  2  0.2350  0.0000  0.2155  1
  F  F3  2  0.3175  0.5000  0.6647  1
]