data_[Pa1Ni8Sn3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.0042]
_cell_length_b [5.0042]
_cell_length_c [8.1035]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [PaNi8Sn3]
_chemical_formula_sum '[Pa1 Ni8 Sn3]'
_cell_volume [175.7396]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5743  1
  Ni  Ni1  3  0.1668  0.3337  0.2558  1
  Ni  Ni2  3  0.5016  0.0031  0.7466  1
  Ni  Ni3  1  0.3333  0.6667  0.5024  1
  Ni  Ni4  1  0.3333  0.6667  0.9921  1
  Sn  Sn5  1  0.0000  0.0000  0.9639  1
  Sn  Sn6  1  0.6667  0.3333  0.0464  1
  Sn  Sn7  1  0.6667  0.3333  0.4140  1
]