data_[Sc3Pa1Cu8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Pa  1.5000  1.8000  1.0400
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.1008]
_cell_length_b [5.1008]
_cell_length_c [8.2538]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Sc3PaCu8]
_chemical_formula_sum '[Sc3 Pa1 Cu8]'
_cell_volume [185.9740]
_cell_formula_units_Z [1]
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
[
  Sc  Sc0  1  0.0000  0.0000  0.9583  1
  Sc  Sc1  1  0.6667  0.3333  0.0528  1
  Sc  Sc2  1  0.6667  0.3333  0.4353  1
  Pa  Pa3  1  0.0000  0.0000  0.5609  1
  Cu  Cu4  3  0.1671  0.3342  0.2471  1
  Cu  Cu5  3  0.5020  0.4980  0.7522  1
  Cu  Cu6  1  0.3333  0.6667  0.5001  1
  Cu  Cu7  1  0.3333  0.6667  0.9946  1
]