data_[Ca4Tl4Rh4F24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Tl  1.6200  1.9000  1.3325
  Rh  2.2800  1.3500  0.7450
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.5933]
_cell_length_b [7.8580]
_cell_length_c [11.3084]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [CaTlRhF6]
_chemical_formula_sum '[Ca4 Tl4 Rh4 F24]'
_cell_volume [674.7488]
_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
[
  Ca  Ca0  4  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  4  0.0000  0.2500  0.6726  1.0
  Rh  Rh2  4  0.2500  0.2500  0.2500  1.0
  F  F3  16  0.2140  0.0625  0.1321  1.0
  F  F4  4  0.0000  0.2500  0.3114  1.0
  F  F5  4  0.0000  0.2500  0.9029  1.0
]