data_[Na6Y6Ge6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Y  1.2200  1.8000  1.0400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.8840]
_cell_length_b [4.8840]
_cell_length_c [24.5926]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [NaYGe]
_chemical_formula_sum '[Na6 Y6 Ge6]'
_cell_volume [508.0239]
_cell_formula_units_Z [6]
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
[
  Na  Na0  3  0.0000  0.0000  0.1036  1
  Na  Na1  3  0.0000  0.0000  0.5160  1
  Y  Y2  3  0.0000  0.0000  0.3488  1
  Y  Y3  3  0.0000  0.0000  0.9352  1
  Ge  Ge4  3  0.0000  0.0000  0.2312  1
  Ge  Ge5  3  0.0000  0.0000  0.6950  1
]