data_[Rb6Nd3Ni9F36]
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
  Ni  1.9100  1.3500  0.7400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.4612]
_cell_length_b [7.4612]
_cell_length_c [17.4312]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Rb2NdNi3F12]
_chemical_formula_sum '[Rb6 Nd3 Ni9 F36]'
_cell_volume [840.3833]
_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  6  0.0000  0.0000  0.3874  1.0
  Nd  Nd1  3  0.0000  0.0000  0.0000  1.0
  Ni  Ni2  9  0.0000  0.5000  0.5000  1.0
  F  F3  18  0.0026  0.5013  0.3855  1.0
  F  F4  18  0.0796  0.5398  0.8222  1.0
]