data_[Pa6Ni8P4]
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
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2399]
_cell_length_b [3.9245]
_cell_length_c [7.8732]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3587]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pa3(Ni2P)2]
_chemical_formula_sum '[Pa6 Ni8 P4]'
_cell_volume [303.5890]
_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  0.1639  0.5000  0.6712  1
  Pa  Pa1  2  0.0000  0.0000  0.0000  1
  Ni  Ni2  4  0.0575  0.0000  0.3852  1
  Ni  Ni3  4  0.2190  0.5000  0.0709  1
  P  P4  4  0.1117  0.5000  0.2838  1
]