data_[Rb6Ca9Ni3F36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ca  1.0000  1.8000  1.1400
  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 [7.8329]
_cell_length_b [7.8329]
_cell_length_c [19.1802]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Rb2Ca3NiF12]
_chemical_formula_sum '[Rb6 Ca9 Ni3 F36]'
_cell_volume [1019.1330]
_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  0.3880  1
  Ca  Ca1  9  0.0000  0.5000  0.5000  1
  Ni  Ni2  3  0.0000  0.0000  0.0000  1
  F  F3  18  0.0563  0.5282  0.8736  1
  F  F4  18  0.1091  0.2182  0.9471  1
]