data_[Nd3As3]
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
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.2145]
_cell_length_b [5.8463]
_cell_length_c [19.4295]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [NdAs]
_chemical_formula_sum '[Nd3 As3]'
_cell_volume [478.7303]
_cell_formula_units_Z [3]
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  2  0.0000  0.5000  0.1040  1
  Nd  Nd1  1  0.5000  0.0000  0.0000  1
  As  As2  2  0.0000  0.0000  0.1140  1
  As  As3  1  0.5000  0.5000  0.0000  1
]