data_[Ge1Te4Pb3]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.5638]
_cell_length_b [4.5638]
_cell_length_c [12.9166]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [GeTe4Pb3]
_chemical_formula_sum '[Ge1 Te4 Pb3]'
_cell_volume [269.0266]
_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
[
  Ge  Ge0  1  0.0000  0.0000  0.0000  1.0
  Te  Te1  2  0.0000  0.0000  0.2373  1.0
  Te  Te2  1  0.5000  0.5000  0.0000  1.0
  Te  Te3  1  0.5000  0.5000  0.5000  1.0
  Pb  Pb4  2  0.5000  0.5000  0.2470  1.0
  Pb  Pb5  1  0.0000  0.0000  0.5000  1.0
]