data_[Pa4Nb4Cu4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Nb  1.6000  1.4500  0.8200
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [14.7704]
_cell_length_b [3.0149]
_cell_length_c [5.1606]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [PaNbCu]
_chemical_formula_sum '[Pa4 Nb4 Cu4]'
_cell_volume [229.8117]
_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  0.3298  0.0000  0.3120  1
  Nb  Nb1  4  0.1489  0.0000  0.8082  1
  Cu  Cu2  2  0.0000  0.0000  0.4575  1
  Cu  Cu3  2  0.5000  0.0000  0.6356  1
]