data_[Li1Te1Ir1F1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Te  2.1000  1.4000  1.2933
  Ir  2.2000  1.3500  0.7650
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.3604]
_cell_length_b [3.2484]
_cell_length_c [7.1944]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.9535]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [LiTeIrF]
_chemical_formula_sum '[Li1 Te1 Ir1 F1]'
_cell_volume [78.4283]
_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
[
  Li  Li0  1  0.2792  0.0000  0.0208  1
  Te  Te1  1  0.1350  0.0000  0.5029  1
  Ir  Ir2  1  0.6571  0.5000  0.6706  1
  F  F3  1  0.5363  0.5000  0.0434  1
]