data_[In3Te2F3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.4403]
_cell_length_b [21.5881]
_cell_length_c [6.2289]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.5123]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [In3Te2F3]
_chemical_formula_sum '[In3 Te2 F3]'
_cell_volume [596.5163]
_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
[
  In  In0  2  0.8316  0.4030  0.9822  1
  In  In1  1  0.2372  0.5000  0.4791  1
  Te  Te2  2  0.3219  0.3474  0.8109  1
  F  F3  2  0.8585  0.4308  0.2996  1
  F  F4  1  0.8437  0.5000  0.8779  1
]