data_[Ti1Rh1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Rh  2.2800  1.3500  0.7450
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1647]
_cell_length_b [5.2847]
_cell_length_c [5.5037]
_cell_angle_alpha [62.5716]
_cell_angle_beta [89.7560]
_cell_angle_gamma [61.2776]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TiRhF6]
_chemical_formula_sum '[Ti1 Rh1 F6]'
_cell_volume [112.2841]
_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
[
  Ti  Ti0  1  0.0000  0.0000  0.0000  1.0
  Rh  Rh1  1  0.5000  0.0000  0.5000  1.0
  F  F2  2  0.0920  0.5591  0.2209  1.0
  F  F3  2  0.2490  0.8741  0.7668  1.0
  F  F4  2  0.3532  0.8788  0.2480  1.0
]