data_[Tl4Ga2Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ga  1.8100  1.3000  0.7600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.2423]
_cell_length_b [8.2423]
_cell_length_c [4.8664]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Tl2GaTe2]
_chemical_formula_sum '[Tl4 Ga2 Te4]'
_cell_volume [330.6004]
_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
[
  Tl  Tl0  4  0.1396  0.6396  0.5000  1
  Ga  Ga1  2  0.0000  0.0000  0.0000  1
  Te  Te2  4  0.1766  0.3234  0.0000  1
]