data_[Nd12Tm4Sc4]
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
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.4017]
_cell_length_b [3.5162]
_cell_length_c [12.2039]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.7774]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3TmSc]
_chemical_formula_sum '[Nd12 Tm4 Sc4]'
_cell_volume [639.0329]
_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  0.0733  0.0000  0.9485  1.0
  Nd  Nd1  4  0.1713  0.5000  0.5499  1.0
  Nd  Nd2  4  0.2122  0.5000  0.8445  1.0
  Tm  Tm3  4  0.1248  0.5000  0.2416  1.0
  Sc  Sc4  4  0.0178  0.0000  0.6469  1.0
]