data_[Rb6Mg9Sc3F36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Mg  1.3100  1.5000  0.8600
  Sc  1.3600  1.6000  0.8850
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.4012]
_cell_length_b [7.4012]
_cell_length_c [18.5160]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Rb2Mg3ScF12]
_chemical_formula_sum '[Rb6 Mg9 Sc3 F36]'
_cell_volume [878.3681]
_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  0.3799  1.0
  Mg  Mg1  9  0.0000  0.5000  0.5000  1.0
  Sc  Sc2  3  0.0000  0.0000  0.0000  1.0
  F  F3  18  0.0691  0.5345  0.6060  1.0
  F  F4  18  0.0724  0.5362  0.8557  1.0
]