data_[Nd4Ga4Ge4]
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 [Cc]
_cell_length_a [6.0522]
_cell_length_b [6.0376]
_cell_length_c [7.8791]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.3156]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [NdGaGe]
_chemical_formula_sum '[Nd4 Ga4 Ge4]'
_cell_volume [266.3447]
_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  0.1274  0.1184  0.0009  1.0
  Ga  Ga1  4  0.0189  0.4033  0.3345  1.0
  Ge  Ge2  4  0.2309  0.3910  0.6679  1.0
]