data_[Nd10Si3Ge3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Si  1.9000  1.1000  0.5400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.8393]
_cell_length_b [8.8393]
_cell_length_c [6.6827]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Nd10(SiGe)3]
_chemical_formula_sum '[Nd10 Si3 Ge3]'
_cell_volume [452.1891]
_cell_formula_units_Z [1]
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  0.3333  0.6667  0.2471  1.0
  Nd  Nd1  3  0.0000  0.2450  0.0000  1.0
  Nd  Nd2  3  0.0000  0.7551  0.5000  1.0
  Si  Si3  3  0.0000  0.6064  0.0000  1.0
  Ge  Ge4  3  0.0000  0.3939  0.5000  1.0
]