data_[Nd8As6O2]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [11.7267]
_cell_length_b [5.9865]
_cell_length_c [5.9841]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Nd4As3O]
_chemical_formula_sum '[Nd8 As6 O2]'
_cell_volume [420.0971]
_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  0.2481  0.2488  0.0644  1.0
  Nd  Nd1  2  0.0000  0.2526  0.6287  1.0
  Nd  Nd2  2  0.0000  0.8152  0.0634  1.0
  As  As3  4  0.2499  0.7480  0.0640  1.0
  As  As4  2  0.0000  0.7529  0.5645  1.0
  O  O5  2  0.0000  0.1889  0.0019  1.0
]