data_[Ge2Te2Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.8280]
_cell_length_b [6.2797]
_cell_length_c [6.4571]
_cell_angle_alpha [88.2357]
_cell_angle_beta [84.8868]
_cell_angle_gamma [74.3235]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [GeTeCl]
_chemical_formula_sum '[Ge2 Te2 Cl2]'
_cell_volume [226.6183]
_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
[
  Ge  Ge0  1  0.0160  0.4960  0.5151  1
  Ge  Ge1  1  0.2353  0.8168  0.8813  1
  Te  Te2  1  0.3472  0.7509  0.4515  1
  Te  Te3  1  0.4327  0.3907  0.7254  1
  Cl  Cl4  1  0.1579  0.2417  0.2440  1
  Cl  Cl5  1  0.8328  0.8280  0.9107  1
]