data_[Ho2P2I2]
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 [P-1]
_cell_length_a [3.9771]
_cell_length_b [4.9814]
_cell_length_c [11.5251]
_cell_angle_alpha [77.6669]
_cell_angle_beta [80.9151]
_cell_angle_gamma [67.6387]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [HoPI]
_chemical_formula_sum '[Ho2 P2 I2]'
_cell_volume [205.5428]
_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  0.1723  0.7989  0.8731  1
  P  P1  2  0.4847  0.1895  0.9280  1
  I  I2  2  0.2037  0.2949  0.3195  1
]