data_[Rb3Sc1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sc  1.3600  1.6000  0.8850
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4662]
_cell_length_b [6.5554]
_cell_length_c [6.6219]
_cell_angle_alpha [90.1332]
_cell_angle_beta [118.8752]
_cell_angle_gamma [119.4320]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Rb3ScF6]
_chemical_formula_sum '[Rb3 Sc1 F6]'
_cell_volume [203.2324]
_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  0.4961  0.7560  0.2297  1.0
  Rb  Rb1  1  0.0000  0.5000  0.5000  1.0
  Sc  Sc2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.0285  0.2869  0.8653  1.0
  F  F4  2  0.0703  0.1797  0.3026  1.0
  F  F5  2  0.4293  0.1625  0.1673  1.0
]