data_[Nd12Ho4Cd4]
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 [C2/m]
_cell_length_a [13.1396]
_cell_length_b [3.7508]
_cell_length_c [12.9544]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.5996]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3HoCd]
_chemical_formula_sum '[Nd12 Ho4 Cd4]'
_cell_volume [637.1736]
_cell_formula_units_Z [4]
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  4  0.0412  0.0000  0.1904  1
  Nd  Nd1  4  0.1343  0.5000  0.9735  1
  Nd  Nd2  4  0.1463  0.0000  0.4443  1
  Ho  Ho3  4  0.2269  0.0000  0.7512  1
  Cd  Cd4  4  0.0629  0.5000  0.6298  1
]