data_[Nd6Ga8Ge8]
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 [27.3670]
_cell_length_b [4.3373]
_cell_length_c [4.2182]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0991]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3(GaGe)4]
_chemical_formula_sum '[Nd6 Ga8 Ge8]'
_cell_volume [500.6937]
_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
[
  Nd  Nd0  4  0.1389  0.5000  0.9937  1.0
  Nd  Nd1  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  4  0.0901  0.0000  0.4324  1.0
  Ga  Ga3  4  0.2296  0.0000  0.0160  1.0
  Ge  Ge4  4  0.0465  0.5000  0.5517  1.0
  Ge  Ge5  4  0.1756  0.0000  0.5096  1.0
]