data_[Na2Cu2Ge6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Cu  1.9000  1.3500  0.8200
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [5.7958]
_cell_length_b [5.7412]
_cell_length_c [5.7441]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [NaCuGe3]
_chemical_formula_sum '[Na2 Cu2 Ge6]'
_cell_volume [191.1326]
_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
[
  Na  Na0  2  0.0000  0.2662  0.5330  1
  Cu  Cu1  2  0.0000  0.9101  0.8637  1
  Ge  Ge2  4  0.2494  0.7706  0.5327  1
  Ge  Ge3  2  0.0000  0.6103  0.1599  1
]