data_[Ho4Tl2Ni1]
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 [P2/m]
_cell_length_a [6.5890]
_cell_length_b [3.6675]
_cell_length_c [8.5825]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5525]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ho4Tl2Ni]
_chemical_formula_sum '[Ho4 Tl2 Ni1]'
_cell_volume [198.8035]
_cell_formula_units_Z [1]
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  2  0.0984  0.0000  0.7863  1
  Ho  Ho1  2  0.3718  0.5000  0.1651  1
  Tl  Tl2  2  0.2466  0.5000  0.4983  1
  Ni  Ni3  1  0.5000  0.0000  0.0000  1
]