data_[In2H2F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  H  2.2000  0.2500  0.0000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.0020]
_cell_length_b [5.8722]
_cell_length_c [5.9554]
_cell_angle_alpha [118.1877]
_cell_angle_beta [90.0961]
_cell_angle_gamma [108.6311]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [InHF]
_chemical_formula_sum '[In2 H2 F2]'
_cell_volume [114.9267]
_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
[
  In  In0  2  0.3155  0.6413  0.3172  1.0
  H  H1  2  0.4079  0.0037  0.9915  1.0
  F  F2  2  0.1556  0.3004  0.8816  1.0
]