data_[Nd3Sc6Pa3]
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
  Pa  1.5000  1.8000  1.0400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.3134]
_cell_length_b [3.3134]
_cell_length_c [33.3003]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [NdSc2Pa]
_chemical_formula_sum '[Nd3 Sc6 Pa3]'
_cell_volume [316.6202]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.6664  1
  Sc  Sc1  3  0.0000  0.0000  0.0873  1
  Sc  Sc2  3  0.0000  0.0000  0.2462  1
  Pa  Pa3  3  0.0000  0.0000  0.5001  1
]