data_[Nd24Ge9As3Br12]
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
  As  2.1800  1.1500  0.6600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.6206]
_cell_length_b [8.6206]
_cell_length_c [21.5315]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Nd8Ge3AsBr4]
_chemical_formula_sum '[Nd24 Ge9 As3 Br12]'
_cell_volume [1385.7454]
_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  0.0025  0.5013  0.7616  1.0
  Nd  Nd1  6  0.0000  0.0000  0.2385  1.0
  Ge  Ge2  9  0.0000  0.5000  0.5000  1.0
  As  As3  3  -0.0000  -0.0000  0.5000  1.0
  Br  Br4  9  0.0000  0.5000  0.0000  1.0
  Br  Br5  3  0.0000  0.0000  0.0000  1.0
]