data_[Ho12Tl8Ni4]
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 [C2/m]
_cell_length_a [7.7138]
_cell_length_b [10.7757]
_cell_length_c [7.8739]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8324]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho3Tl2Ni]
_chemical_formula_sum '[Ho12 Tl8 Ni4]'
_cell_volume [644.8828]
_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  8  0.2241  0.3222  0.7771  1
  Ho  Ho1  4  0.1699  0.5000  0.1690  1
  Tl  Tl2  4  0.0000  0.1409  0.5000  1
  Tl  Tl3  2  0.0000  0.0000  0.0000  1
  Tl  Tl4  2  0.0000  0.5000  0.5000  1
  Ni  Ni5  4  0.0000  0.2896  0.0000  1
]