data_[Ho1Cu1I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Cu  1.9000  1.3500  0.8200
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.2425]
_cell_length_b [7.7504]
_cell_length_c [8.4576]
_cell_angle_alpha [69.2831]
_cell_angle_beta [73.5821]
_cell_angle_gamma [85.1943]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [HoCuI6]
_chemical_formula_sum '[Ho1 Cu1 I6]'
_cell_volume [367.0709]
_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
[
  Ho  Ho0  1  0.5000  0.5000  0.0000  1
  Cu  Cu1  1  0.0000  0.0000  0.0000  1
  I  I2  2  0.0899  0.6754  0.1843  1
  I  I3  2  0.2254  0.1369  0.1510  1
  I  I4  2  0.4699  0.6867  0.6403  1
]