data_[Rb6Ti2F14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ti  1.5400  1.4000  0.8517
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.6348]
_cell_length_b [8.7680]
_cell_length_c [6.8554]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.3748]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Rb3TiF7]
_chemical_formula_sum '[Rb6 Ti2 F14]'
_cell_volume [433.4287]
_cell_formula_units_Z [2]
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  4  0.5000  0.2624  0.4985  1.0
  Rb  Rb1  2  0.4870  0.0000  0.9844  1.0
  Ti  Ti2  2  0.4538  0.5000  0.9693  1.0
  F  F3  4  0.1353  0.1430  0.2109  1.0
  F  F4  4  0.3848  0.2991  0.8082  1.0
  F  F5  2  0.1083  0.0000  0.8416  1.0
  F  F6  2  0.1737  0.5000  0.7444  1.0
  F  F7  2  0.3622  0.5000  0.1750  1.0
]