data_[Rb4Hf4Tl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Hf  1.3000  1.5500  0.8500
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.6323]
_cell_length_b [3.2966]
_cell_length_c [9.6026]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6680]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [RbHfTl]
_chemical_formula_sum '[Rb4 Hf4 Tl4]'
_cell_volume [406.3659]
_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  2  0.1955  0.0000  0.2019  1
  Rb  Rb1  2  0.4996  0.0000  0.4440  1
  Hf  Hf2  2  0.3089  0.5000  0.6668  1
  Hf  Hf3  2  0.4837  0.0000  0.8378  1
  Tl  Tl4  2  0.1686  0.0000  0.7981  1
  Tl  Tl5  2  0.3928  0.5000  0.0466  1
]