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 [P1]
_cell_length_a [5.6195]
_cell_length_b [16.8924]
_cell_length_c [16.8924]
_cell_angle_alpha [120.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NdAs]
_chemical_formula_sum '[Nd3 As3]'
_cell_volume [1388.7163]
_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  1  0.1879  0.9196  0.3858  1
  Nd  Nd1  1  0.5802  0.1066  0.5314  1
  Nd  Nd2  1  0.9830  0.0038  0.5985  1
  As  As3  1  0.0850  0.1129  0.5017  1
  As  As4  1  0.4741  0.9523  0.5681  1
  As  As5  1  0.6897  0.9048  0.4144  1
]