data_[Ho16Tl4Sn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.3415]
_cell_length_b [5.2699]
_cell_length_c [8.4957]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.9761]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho8Tl2Sn]
_chemical_formula_sum '[Ho16 Tl4 Sn2]'
_cell_volume [633.7731]
_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
[
  Ho  Ho0  4  0.0626  0.0000  0.7185  1.0
  Ho  Ho1  4  0.0916  0.5000  0.4504  1.0
  Ho  Ho2  4  0.1374  0.0000  0.1818  1.0
  Ho  Ho3  4  0.1804  0.5000  0.9467  1.0
  Tl  Tl4  4  0.2201  0.0000  0.6182  1.0
  Sn  Sn5  2  0.0000  0.5000  0.0000  1.0
]