data_[Nd12As4P6Pb2]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.5774]
_cell_length_b [4.2214]
_cell_length_c [8.6505]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7973]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6As2P3Pb]
_chemical_formula_sum '[Nd12 As4 P6 Pb2]'
_cell_volume [658.8185]
_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  0.0014  0.0000  0.7264  1.0
  Nd  Nd1  4  0.1667  0.5000  0.5864  1.0
  Nd  Nd2  4  0.1753  0.5000  0.0847  1.0
  As  As3  4  0.1666  0.0000  0.3333  1.0
  P  P4  4  0.1663  0.0000  0.8329  1.0
  P  P5  2  0.0000  0.5000  0.5000  1.0
  Pb  Pb6  2  0.0000  0.5000  0.0000  1.0
]