data_[Pa4Ni20As12]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.7137]
_cell_length_b [12.1694]
_cell_length_c [11.5838]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [PaNi5As3]
_chemical_formula_sum '[Pa4 Ni20 As12]'
_cell_volume [523.5055]
_cell_formula_units_Z [4]
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  0.1559  0.2500  1
  Ni  Ni1  8  0.0000  0.1962  0.5616  1
  Ni  Ni2  8  0.0000  0.4385  0.1434  1
  Ni  Ni3  4  0.0000  0.0000  0.0000  1
  As  As4  8  0.0000  0.3829  0.5548  1
  As  As5  4  0.0000  0.1238  0.7500  1
]