data_[Nd6Tm26]
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
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [9.9038]
_cell_length_b [9.9862]
_cell_length_c [10.0129]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Nd3Tm13]
_chemical_formula_sum '[Nd6 Tm26]'
_cell_volume [990.2979]
_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  0.2504  0.0000  0.9987  1.0
  Nd  Nd1  2  0.0000  0.0000  0.2528  1.0
  Tm  Tm2  8  0.2511  0.2492  0.7499  1.0
  Tm  Tm3  4  0.0000  0.2474  0.5003  1.0
  Tm  Tm4  4  0.2520  0.0000  0.5013  1.0
  Tm  Tm5  4  0.5000  0.2483  0.4999  1.0
  Tm  Tm6  2  0.0000  0.0000  0.7476  1.0
  Tm  Tm7  2  0.5000  0.0000  0.2521  1.0
  Tm  Tm8  2  0.5000  0.0000  0.7475  1.0
]