data_[Nd24As4P16]
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
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1604]
_cell_length_b [13.6955]
_cell_length_c [20.8461]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Nd6AsP4]
_chemical_formula_sum '[Nd24 As4 P16]'
_cell_volume [1187.7853]
_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
[
  Nd  Nd0  8  0.0000  0.0444  0.1620  1
  Nd  Nd1  8  0.0000  0.2254  0.5818  1
  Nd  Nd2  4  0.0000  0.3180  0.2500  1
  Nd  Nd3  4  0.0000  0.5000  0.0000  1
  As  As4  4  0.0000  0.3371  0.7500  1
  P  P5  8  0.0000  0.1373  0.0428  1
  P  P6  8  0.0000  0.4096  0.1281  1
]