data_[Pa4Al2Cu4Ni10]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.2111]
_cell_length_b [9.2111]
_cell_length_c [3.4698]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Pa2AlCu2Ni5]
_chemical_formula_sum '[Pa4 Al2 Cu4 Ni10]'
_cell_volume [294.3938]
_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
[
  Pa  Pa0  4  0.1788  0.3212  0.0000  1
  Al  Al1  2  0.0000  0.0000  0.0000  1
  Cu  Cu2  4  0.1210  0.6210  0.0000  1
  Ni  Ni3  8  0.0510  0.7984  0.5000  1
  Ni  Ni4  2  0.0000  0.5000  0.5000  1
]