data_[Ge9As6Pt6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  As  2.1800  1.1500  0.6600
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.1265]
_cell_length_b [4.1265]
_cell_length_c [27.0618]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ge3(AsPt)2]
_chemical_formula_sum '[Ge9 As6 Pt6]'
_cell_volume [399.0740]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0882  1
  Ge  Ge1  3  0.0000  0.0000  0.3652  1
  Ge  Ge2  3  0.0000  0.0000  0.6222  1
  As  As3  3  0.0000  0.0000  0.2231  1
  As  As4  3  0.0000  0.0000  0.8120  1
  Pt  Pt5  3  0.0000  0.0000  0.5222  1
  Pt  Pt6  3  0.0000  0.0000  0.9922  1
]