data_[Ti2Cr1Te2F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Cr  1.6600  1.4000  0.9400
  Te  2.1000  1.4000  1.2933
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [3.5999]
_cell_length_b [3.5999]
_cell_length_c [9.7956]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Ti2CrTe2F2]
_chemical_formula_sum '[Ti2 Cr1 Te2 F2]'
_cell_volume [126.9434]
_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
[
  Ti  Ti0  2  0.0000  0.5000  0.1391  1
  Cr  Cr1  1  0.5000  0.5000  0.5000  1
  Te  Te2  2  0.0000  0.5000  0.7138  1
  F  F3  1  0.0000  0.0000  0.0000  1
  F  F4  1  0.5000  0.5000  0.0000  1
]