data_[Na4Ga4Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ga  1.8100  1.3000  0.7600
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.5428]
_cell_length_b [7.5029]
_cell_length_c [7.4592]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [NaGaGe]
_chemical_formula_sum '[Na4 Ga4 Ge4]'
_cell_volume [254.2354]
_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
[
  Na  Na0  2  0.0000  0.0000  0.1550  1
  Na  Na1  2  0.0000  0.5000  0.2926  1
  Ga  Ga2  4  0.0000  0.3256  0.8804  1
  Ge  Ge3  4  0.0000  0.1775  0.5654  1
]