data_[Nd6Tm2C16]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [7.2610]
_cell_length_b [7.2610]
_cell_length_c [7.6177]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Nd3TmC8]
_chemical_formula_sum '[Nd6 Tm2 C16]'
_cell_volume [401.6239]
_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  0.0000  0.5000  0.2500  1
  Nd  Nd1  2  0.0000  0.0000  0.0000  1
  Tm  Tm2  2  0.0000  0.0000  0.5000  1
  C  C3  8  0.1589  0.1589  0.7165  1
  C  C4  8  0.2367  0.2367  0.1222  1
]