data_[Yb2Tl2Fe4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  Tl  1.6200  1.9000  1.3325
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.6975]
_cell_length_b [4.6975]
_cell_length_c [7.6641]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [YbTlFe2]
_chemical_formula_sum '[Yb2 Tl2 Fe4]'
_cell_volume [146.4588]
_cell_formula_units_Z [2]
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
[
  Yb  Yb0  2  0.3333  0.6667  0.2500  1
  Tl  Tl1  2  0.0000  0.0000  0.0000  1
  Fe  Fe2  4  0.3333  0.6667  0.5979  1
]