data_[Ca1Yb1Tl2Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Yb  1.1000  1.7500  1.0840
  Tl  1.6200  1.9000  1.3325
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.6334]
_cell_length_b [4.6334]
_cell_length_c [8.6004]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [CaYb(TlRh2)2]
_chemical_formula_sum '[Ca1 Yb1 Tl2 Rh4]'
_cell_volume [159.9028]
_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
[
  Ca  Ca0  1  0.0000  0.0000  0.0000  1
  Yb  Yb1  1  0.3333  0.6667  0.5000  1
  Tl  Tl2  2  0.6667  0.3333  0.2521  1
  Rh  Rh3  2  0.0000  0.0000  0.3383  1
  Rh  Rh4  2  0.3333  0.6667  0.1708  1
]