data_[Ho12Er20Tl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Er  1.2400  1.7500  1.0300
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9416]
_cell_length_b [11.2485]
_cell_length_c [10.0768]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2664]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho3Er5Tl]
_chemical_formula_sum '[Ho12 Er20 Tl4]'
_cell_volume [1277.7628]
_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
[
  Ho  Ho0  4  0.0001  0.5000  0.1852  1
  Ho  Ho1  4  0.0041  0.0000  0.6717  1
  Ho  Ho2  2  0.0000  0.0000  0.0000  1
  Ho  Ho3  2  0.0000  0.5000  0.5000  1
  Er  Er4  8  0.1841  0.2595  0.7928  1
  Er  Er5  4  0.0000  0.2684  0.0000  1
  Er  Er6  4  0.2373  0.5000  0.0575  1
  Er  Er7  4  0.2499  0.5000  0.4080  1
  Tl  Tl8  4  0.2318  0.0000  0.2695  1
]