data_[Pa6Zn18Cu4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.4191]
_cell_length_b [8.7403]
_cell_length_c [12.6222]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pa3Zn9Cu2]
_chemical_formula_sum '[Pa6 Zn18 Cu4]'
_cell_volume [487.5283]
_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  0.0000  0.0000  0.2899  1
  Pa  Pa1  2  0.0000  0.0000  0.0000  1
  Zn  Zn2  8  0.0000  0.2855  0.1413  1
  Zn  Zn3  8  0.0000  0.3576  0.3506  1
  Zn  Zn4  2  0.0000  0.5000  0.0000  1
  Cu  Cu5  4  0.0000  0.1642  0.5000  1
]