data_[Sr1Ti1In2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ti  1.5400  1.4000  0.8517
  In  1.7800  1.5500  0.9400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.9207]
_cell_length_b [7.2304]
_cell_length_c [6.4483]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.3372]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [SrTiIn2F8]
_chemical_formula_sum '[Sr1 Ti1 In2 F8]'
_cell_volume [229.0305]
_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  1.0
  Ti  Ti1  1  0.0000  0.0000  0.0000  1.0
  In  In2  2  0.5000  0.2399  0.5000  1.0
  F  F3  4  0.1253  0.1978  0.8285  1.0
  F  F4  2  0.3233  0.0000  0.1624  1.0
  F  F5  2  0.3813  0.5000  0.2561  1.0
]