data_[Nd2Ho2Cd12]
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
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.9151]
_cell_length_b [7.1499]
_cell_length_c [11.1774]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [NdHoCd6]
_chemical_formula_sum '[Nd2 Ho2 Cd12]'
_cell_volume [392.8042]
_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  0.5000  0.0000  0.6101  1.0
  Ho  Ho1  2  0.0000  0.0000  0.8903  1.0
  Cd  Cd2  4  0.0000  0.2149  0.1590  1.0
  Cd  Cd3  4  0.5000  0.2182  0.3433  1.0
  Cd  Cd4  2  0.0000  0.0000  0.4214  1.0
  Cd  Cd5  2  0.5000  0.0000  0.0740  1.0
]