data_[Ho2I2Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.9887]
_cell_length_b [4.9873]
_cell_length_c [8.1293]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.7087]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [HoICl]
_chemical_formula_sum '[Ho2 I2 Cl2]'
_cell_volume [199.9271]
_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  0.2499  0.2500  0.5000  1
  I  I1  2  0.3126  0.7500  0.7537  1
  Cl  Cl2  2  0.2070  0.7500  0.3258  1
]