data_[Y3Pa3Zn51]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Pa  1.5000  1.8000  1.0400
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.9800]
_cell_length_b [8.9800]
_cell_length_c [13.1459]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [YPaZn17]
_chemical_formula_sum '[Y3 Pa3 Zn51]'
_cell_volume [918.0703]
_cell_formula_units_Z [3]
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
[
  Y  Y0  3  0.0000  0.0000  0.6633  1
  Pa  Pa1  3  0.0000  0.0000  0.3363  1
  Zn  Zn2  18  0.0368  0.3700  0.6666  1
  Zn  Zn3  9  0.0118  0.5059  0.1516  1
  Zn  Zn4  9  0.1674  0.3347  0.8339  1
  Zn  Zn5  9  0.1704  0.3407  0.1812  1
  Zn  Zn6  3  0.0000  0.0000  0.1003  1
  Zn  Zn7  3  0.0000  0.0000  0.9004  1
]