data_[Rb12Nd9Cr3Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Nd  1.1400  1.8500  1.2765
  Cr  1.6600  1.4000  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.5312]
_cell_length_b [8.5312]
_cell_length_c [24.0121]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Rb4Nd3CrSe8]
_chemical_formula_sum '[Rb12 Nd9 Cr3 Se24]'
_cell_volume [1513.4973]
_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
[
  Rb  Rb0  9  0.0000  0.5000  0.5000  1.0
  Rb  Rb1  3  -0.0000  -0.0000  0.5000  1.0
  Nd  Nd2  9  0.0000  0.5000  0.0000  1.0
  Cr  Cr3  3  0.0000  0.0000  0.0000  1.0
  Se  Se4  18  0.0284  0.5142  0.7299  1.0
  Se  Se5  6  0.0000  0.0000  0.2650  1.0
]