data_[Nd2Ho4I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ho  1.2300  1.7500  1.0410
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [23.5928]
_cell_length_b [3.9968]
_cell_length_c [19.7324]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd(HoI3)2]
_chemical_formula_sum '[Nd2 Ho4 I12]'
_cell_volume [1860.6961]
_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
[
  Nd  Nd0  2  0.0000  0.5000  0.5000  1
  Ho  Ho1  4  0.1537  0.0000  0.5245  1
  I  I2  4  0.0873  0.5000  0.6199  1
  I  I3  4  0.1128  0.5000  0.4147  1
  I  I4  4  0.2423  0.5000  0.5855  1
]