data_[Na2In2Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  In  1.7800  1.5500  0.9400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.4174]
_cell_length_b [5.1308]
_cell_length_c [9.0179]
_cell_angle_alpha [101.7841]
_cell_angle_beta [94.3388]
_cell_angle_gamma [91.8054]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NaInGe]
_chemical_formula_sum '[Na2 In2 Ge2]'
_cell_volume [154.1674]
_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  1  0.0362  0.8201  0.9610  1
  Na  Na1  1  0.8627  0.7046  0.5678  1
  In  In2  1  0.4184  0.4039  0.1807  1
  In  In3  1  0.4721  0.2632  0.7908  1
  Ge  Ge4  1  0.3154  0.1864  0.4725  1
  Ge  Ge5  1  0.7622  0.9467  0.2751  1
]