data_[Pa4Al4Cu8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Al  1.6100  1.2500  0.6750
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.3136]
_cell_length_b [6.4216]
_cell_length_c [5.5158]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3854]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PaAlCu2]
_chemical_formula_sum '[Pa4 Al4 Cu8]'
_cell_volume [285.2382]
_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
[
  Pa  Pa0  4  0.2268  0.0000  0.6444  1
  Al  Al1  4  0.0000  0.2200  0.0000  1
  Cu  Cu2  4  0.0000  0.3108  0.5000  1
  Cu  Cu3  4  0.2080  0.5000  0.8440  1
]