data_[Mg3Pa3Zn51]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Pa  1.5000  1.8000  1.0400
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.9662]
_cell_length_b [8.9662]
_cell_length_c [13.2105]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [MgPaZn17]
_chemical_formula_sum '[Mg3 Pa3 Zn51]'
_cell_volume [919.7359]
_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
[
  Mg  Mg0  3  0.0000  0.0000  0.6329  1
  Pa  Pa1  3  0.0000  0.0000  0.3395  1
  Zn  Zn2  18  0.0340  0.3615  0.6688  1
  Zn  Zn3  9  0.0065  0.5033  0.1520  1
  Zn  Zn4  9  0.1709  0.3418  0.1809  1
  Zn  Zn5  9  0.1710  0.3419  0.8398  1
  Zn  Zn6  3  0.0000  0.0000  0.1000  1
  Zn  Zn7  3  0.0000  0.0000  0.8968  1
]