data_[Nd4As2P2Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.5601]
_cell_length_b [8.8227]
_cell_length_c [8.0584]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Nd2AsPPd6]
_chemical_formula_sum '[Nd4 As2 P2 Pd12]'
_cell_volume [395.3078]
_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  0.2424  0.2638  1.0
  As  As1  2  0.0000  0.5000  0.7279  1.0
  P  P2  2  0.0000  0.0000  0.7569  1.0
  Pd  Pd3  4  0.0000  0.2488  0.8764  1.0
  Pd  Pd4  4  0.2468  0.0000  0.5230  1.0
  Pd  Pd5  4  0.2491  0.5000  0.0010  1.0
]