data_[Ca2Nd2Pa4P8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Nd  1.1400  1.8500  1.2765
  Pa  1.5000  1.8000  1.0400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [5.7048]
_cell_length_b [5.7048]
_cell_length_c [11.4930]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [CaNd(PaP2)2]
_chemical_formula_sum '[Ca2 Nd2 Pa4 P8]'
_cell_volume [374.0325]
_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
[
  Ca  Ca0  2  0.0000  0.0000  0.5000  1
  Nd  Nd1  2  0.0000  0.5000  0.2500  1
  Pa  Pa2  2  0.0000  0.0000  0.0000  1
  Pa  Pa3  2  0.0000  0.5000  0.7500  1
  P  P4  4  0.0000  0.0000  0.2421  1
  P  P5  4  0.0000  0.5000  0.5077  1
]