data_[Rb4Ca4Ti4F24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ca  1.0000  1.8000  1.1400
  Ti  1.5400  1.4000  0.8517
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.5913]
_cell_length_b [7.6956]
_cell_length_c [10.3951]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [RbCaTiF6]
_chemical_formula_sum '[Rb4 Ca4 Ti4 F24]'
_cell_volume [607.2741]
_cell_formula_units_Z [4]
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  0.0000  0.2500  0.6043  1.0
  Ca  Ca1  4  0.0000  0.0000  0.0000  1.0
  Ti  Ti2  4  0.2500  0.2500  0.2500  1.0
  F  F3  16  0.2292  0.0652  0.3794  1.0
  F  F4  4  0.0000  0.2500  0.1815  1.0
  F  F5  4  0.0000  0.2500  0.8925  1.0
]