data_[Nd2Cu4As4S4O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Cu  1.9000  1.3500  0.8200
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.7730]
_cell_length_b [5.6644]
_cell_length_c [11.5338]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.5611]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdCu2As2(SO2)2]
_chemical_formula_sum '[Nd2 Cu4 As4 S4 O8]'
_cell_volume [374.6917]
_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  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu1  4  0.0000  0.2579  0.5000  1.0
  As  As2  4  0.0374  0.5000  0.7931  1.0
  S  S3  4  0.2240  0.0000  0.3933  1.0
  O  O4  8  0.1849  0.2725  0.8773  1.0
]