data_[Nd12Ga4Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ga  1.8100  1.3000  0.7600
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.6970]
_cell_length_b [4.1823]
_cell_length_c [8.5418]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.4496]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3GaGe]
_chemical_formula_sum '[Nd12 Ga4 Ge4]'
_cell_volume [559.7413]
_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
[
  Nd  Nd0  4  0.0471  0.0000  0.1779  1.0
  Nd  Nd1  4  0.0953  0.5000  0.5758  1.0
  Nd  Nd2  4  0.2366  0.0000  0.8215  1.0
  Ga  Ga3  4  0.2089  0.0000  0.4293  1.0
  Ge  Ge4  4  0.1075  0.5000  0.9338  1.0
]