data_[Ho10Tl8Ni2]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [10.2257]
_cell_length_b [10.2257]
_cell_length_c [5.3272]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Ho5Tl4Ni]
_chemical_formula_sum '[Ho10 Tl8 Ni2]'
_cell_volume [557.0363]
_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  8  0.1628  0.8085  0.0000  1
  Ho  Ho1  2  0.0000  0.0000  0.5000  1
  Tl  Tl2  8  0.0088  0.6753  0.5000  1
  Ni  Ni3  2  0.0000  0.0000  0.0000  1
]