data_[Pa2Si7Ni12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P-6]
_cell_length_a [9.1506]
_cell_length_b [9.1506]
_cell_length_c [3.7536]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [174]
_chemical_formula_structural [Pa2Si7Ni12]
_chemical_formula_sum '[Pa2 Si7 Ni12]'
_cell_volume [272.1952]
_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  0.5000  1
  Pa  Pa1  1  0.6667  0.3333  0.0000  1
  Si  Si2  3  0.0636  0.2830  0.0000  1
  Si  Si3  3  0.4284  0.3626  0.5000  1
  Si  Si4  1  0.3333  0.6667  0.0000  1
  Ni  Ni5  3  0.0528  0.5255  0.0000  1
  Ni  Ni6  3  0.2273  0.7631  0.5000  1
  Ni  Ni7  3  0.2722  0.2110  0.0000  1
  Ni  Ni8  3  0.3887  0.0911  0.5000  1
]