data_[Pa12Ga2Ni12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Ga  1.8100  1.3000  0.7600
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.2333]
_cell_length_b [9.1799]
_cell_length_c [9.9839]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pa6GaNi6]
_chemical_formula_sum '[Pa12 Ga2 Ni12]'
_cell_volume [479.6392]
_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  0.3235  1
  Pa  Pa1  4  0.0000  0.3295  0.5000  1
  Pa  Pa2  4  0.0000  0.3309  0.0000  1
  Ga  Ga3  2  0.0000  0.0000  0.0000  1
  Ni  Ni4  8  0.2500  0.2500  0.2500  1
  Ni  Ni5  4  0.0000  0.5000  0.2517  1
]