data_[Nd24Ge9P3Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ge  2.0100  1.2500  0.7700
  P  2.1900  1.0000  0.5500
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.4703]
_cell_length_b [8.4703]
_cell_length_c [20.6773]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Nd8Ge3PCl4]
_chemical_formula_sum '[Nd24 Ge9 P3 Cl12]'
_cell_volume [1284.7574]
_cell_formula_units_Z [3]
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  18  0.0065  0.5033  0.7414  1.0
  Nd  Nd1  6  0.0000  0.0000  0.2569  1.0
  Ge  Ge2  9  0.0000  0.5000  0.0000  1.0
  P  P3  3  0.0000  0.0000  0.0000  1.0
  Cl  Cl4  9  0.0000  0.5000  0.5000  1.0
  Cl  Cl5  3  -0.0000  -0.0000  0.5000  1.0
]