data_[Ho14Ni4S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Ni  1.9100  1.3500  0.7400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.7383]
_cell_length_b [14.8164]
_cell_length_c [9.1417]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Ho7(NiS)2]
_chemical_formula_sum '[Ho14 Ni4 S4]'
_cell_volume [506.3392]
_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  0.0000  0.1340  0.5812  1
  Ho  Ho1  4  0.0000  0.1857  0.9413  1
  Ho  Ho2  4  0.0000  0.3810  0.7352  1
  Ho  Ho3  2  0.0000  0.5000  0.3345  1
  Ni  Ni4  4  0.0000  0.2595  0.2438  1
  S  S5  2  0.0000  0.0000  0.0799  1
  S  S6  2  0.0000  0.5000  0.9878  1
]