data_[Cs9Nd9Ga3Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Nd  1.1400  1.8500  1.2765
  Ga  1.8100  1.3000  0.7600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.5317]
_cell_length_b [8.5317]
_cell_length_c [25.8083]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs3Nd3GaSe8]
_chemical_formula_sum '[Cs9 Nd9 Ga3 Se24]'
_cell_volume [1626.9182]
_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
[
  Cs  Cs0  9  0.0000  0.5000  0.5000  1
  Nd  Nd1  9  0.0000  0.5000  0.0000  1
  Ga  Ga2  3  -0.0000  -0.0000  0.0000  1
  Se  Se3  18  0.0287  0.5144  0.7255  1
  Se  Se4  6  0.0000  0.0000  0.2694  1
]