data_[Ho4Cu2I12]
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 [C2/m]
_cell_length_a [22.5727]
_cell_length_b [4.0080]
_cell_length_c [18.9443]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho2CuI6]
_chemical_formula_sum '[Ho4 Cu2 I12]'
_cell_volume [1713.8976]
_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  0.1472  0.0000  0.5155  1
  Cu  Cu1  2  0.0000  0.5000  0.5000  1
  I  I2  4  0.0690  0.5000  0.6041  1
  I  I3  4  0.1118  0.5000  0.4024  1
  I  I4  4  0.2345  0.5000  0.5876  1
]