data_[Ge4Te4Ru4]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.2118]
_cell_length_b [3.9400]
_cell_length_c [5.9828]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.3200]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [GeTeRu]
_chemical_formula_sum '[Ge4 Te4 Ru4]'
_cell_volume [287.7838]
_cell_formula_units_Z [4]
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  2  0.0418  0.0000  0.3880  1
  Ge  Ge1  2  0.3567  0.5000  0.0701  1
  Te  Te2  2  0.1378  0.5000  0.8831  1
  Te  Te3  2  0.3823  0.0000  0.5778  1
  Ru  Ru4  2  0.0017  0.0000  0.7914  1
  Ru  Ru5  2  0.4765  0.0000  0.1640  1
]