data_[Dy1Ho1Ni2I2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Ho  1.2300  1.7500  1.0410
  Ni  1.9100  1.3500  0.7400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.0738]
_cell_length_b [4.0738]
_cell_length_c [11.8671]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [DyHo(NiI)2]
_chemical_formula_sum '[Dy1 Ho1 Ni2 I2]'
_cell_volume [170.5581]
_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
[
  Dy  Dy0  1  0.0000  0.0000  0.1488  1
  Ho  Ho1  1  0.0000  0.0000  0.8514  1
  Ni  Ni2  1  0.3333  0.6667  0.0058  1
  Ni  Ni3  1  0.6667  0.3333  0.9930  1
  I  I4  1  0.3333  0.6667  0.6713  1
  I  I5  1  0.6667  0.3333  0.3297  1
]