data_[Nd6Sc2Tl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sc  1.3600  1.6000  0.8850
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.5545]
_cell_length_b [3.5453]
_cell_length_c [10.1929]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1215]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd3ScTl]
_chemical_formula_sum '[Nd6 Sc2 Tl2]'
_cell_volume [303.3267]
_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  2  0.0212  0.2500  0.1669  1.0
  Nd  Nd1  2  0.1746  0.7500  0.4711  1.0
  Nd  Nd2  2  0.3301  0.7500  0.0413  1.0
  Sc  Sc3  2  0.4554  0.2500  0.3527  1.0
  Tl  Tl4  2  0.2936  0.2500  0.7555  1.0
]