data_[Nd6Tm1Cd1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Tm  1.2500  1.7500  1.0950
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0314]
_cell_length_b [5.0314]
_cell_length_c [10.2592]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Nd6TmCd]
_chemical_formula_sum '[Nd6 Tm1 Cd1]'
_cell_volume [259.7091]
_cell_formula_units_Z [1]
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  0.0000  0.5000  0.2460  1
  Nd  Nd1  1  0.5000  0.5000  0.0000  1
  Nd  Nd2  1  0.5000  0.5000  0.5000  1
  Tm  Tm3  1  0.0000  0.0000  0.5000  1
  Cd  Cd4  1  0.0000  0.0000  0.0000  1
]