data_[Nd10Pa2P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/m]
_cell_length_a [7.1543]
_cell_length_b [12.3821]
_cell_length_c [7.1440]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4737]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd5PaP6]
_chemical_formula_sum '[Nd10 Pa2 P12]'
_cell_volume [596.6494]
_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
[
  Nd  Nd0  4  0.0000  0.1692  0.5000  1
  Nd  Nd1  4  0.0000  0.3340  0.0000  1
  Nd  Nd2  2  0.0000  0.5000  0.5000  1
  Pa  Pa3  2  0.0000  0.0000  0.0000  1
  P  P4  8  0.2409  0.1603  0.2425  1
  P  P5  4  0.2389  0.0000  0.7577  1
]