data_[Ho4P2I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  P  2.1900  1.0000  0.5500
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [3.9938]
_cell_length_b [19.9843]
_cell_length_c [21.2000]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Ho2PI3]
_chemical_formula_sum '[Ho4 P2 I6]'
_cell_volume [1692.0241]
_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  2  0.0000  0.4631  0.4274  1
  Ho  Ho1  2  0.0000  0.5662  0.5508  1
  P  P2  2  0.0000  0.4506  0.9634  1
  I  I3  2  0.0000  0.3753  0.1437  1
  I  I4  2  0.0000  0.4154  0.5628  1
  I  I5  2  0.0000  0.6186  0.8519  1
]