data_[Rb3Ni1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ni  1.9100  1.3500  0.7400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.2636]
_cell_length_b [6.3175]
_cell_length_c [6.5285]
_cell_angle_alpha [61.8005]
_cell_angle_beta [61.7957]
_cell_angle_gamma [61.1661]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Rb3NiF6]
_chemical_formula_sum '[Rb3 Ni1 F6]'
_cell_volume [189.1604]
_cell_formula_units_Z [1]
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  2  0.2576  0.2416  0.2387  1.0
  Rb  Rb1  1  0.5000  0.5000  0.5000  1.0
  Ni  Ni2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.1556  0.2604  0.8385  1.0
  F  F4  2  0.2111  0.8678  0.7239  1.0
  F  F5  2  0.2630  0.7771  0.1542  1.0
]