data_[Rb3Tm1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Tm  1.2500  1.7500  1.0950
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6433]
_cell_length_b [6.6776]
_cell_length_c [6.7696]
_cell_angle_alpha [61.1666]
_cell_angle_beta [60.9112]
_cell_angle_gamma [60.5888]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Rb3TmF6]
_chemical_formula_sum '[Rb3 Tm1 F6]'
_cell_volume [216.5927]
_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  0.2608  0.2484  0.2242  1.0
  Rb  Rb1  1  0.5000  0.5000  0.5000  1.0
  Tm  Tm2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.1603  0.7058  0.8594  1.0
  F  F4  2  0.2229  0.1967  0.6786  1.0
  F  F5  2  0.2835  0.8383  0.1556  1.0
]