data_[Ho16Tl4Si2]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.0330]
_cell_length_b [5.0537]
_cell_length_c [6.6583]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8446]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho8Tl2Si]
_chemical_formula_sum '[Ho16 Tl4 Si2]'
_cell_volume [621.8388]
_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  0.0198  0.0000  0.7746  1.0
  Ho  Ho1  4  0.0882  0.5000  0.4526  1.0
  Ho  Ho2  4  0.1498  0.5000  0.9874  1.0
  Ho  Ho3  4  0.2121  0.0000  0.3163  1.0
  Tl  Tl4  4  0.1824  0.0000  0.7543  1.0
  Si  Si5  2  0.0000  0.5000  0.0000  1.0
]