data_[Nd6Ho8Cd2]
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 [Pmn2_1]
_cell_length_a [11.3000]
_cell_length_b [7.1129]
_cell_length_c [6.2218]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Nd3Ho4Cd]
_chemical_formula_sum '[Nd6 Ho8 Cd2]'
_cell_volume [500.0773]
_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  4  0.2341  0.6179  0.9805  1.0
  Nd  Nd1  2  0.0000  0.6294  0.6234  1.0
  Ho  Ho2  4  0.2415  0.1233  0.9857  1.0
  Ho  Ho3  2  0.0000  0.1297  0.6430  1.0
  Ho  Ho4  2  0.0000  0.8912  0.1633  1.0
  Cd  Cd5  2  0.0000  0.3611  0.1531  1.0
]