data_[Gd1Y1Te2F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  Y  1.2200  1.8000  1.0400
  Te  2.1000  1.4000  1.2933
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.0392]
_cell_length_b [4.0392]
_cell_length_c [7.4072]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [GdYTe2F2]
_chemical_formula_sum '[Gd1 Y1 Te2 F2]'
_cell_volume [120.8474]
_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
[
  Gd  Gd0  1  0.5000  0.5000  0.8026  1
  Y  Y1  1  0.0000  0.0000  0.1994  1
  Te  Te2  1  0.0000  0.0000  0.6373  1
  Te  Te3  1  0.5000  0.5000  0.3605  1
  F  F4  2  0.0000  0.5000  0.0001  1
]