data_[Nd12As4S6Cl2]
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
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.1726]
_cell_length_b [4.1518]
_cell_length_c [8.3089]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6461]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6As2S3Cl]
_chemical_formula_sum '[Nd12 As4 S6 Cl2]'
_cell_volume [609.2079]
_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  0.0017  0.0000  0.7254  1.0
  Nd  Nd1  4  0.1667  0.5000  0.5868  1.0
  Nd  Nd2  4  0.1768  0.5000  0.0840  1.0
  As  As3  4  0.1638  0.0000  0.3284  1.0
  S  S4  4  0.1640  0.0000  0.8335  1.0
  S  S5  2  0.0000  0.5000  0.5000  1.0
  Cl  Cl6  2  0.0000  0.5000  0.0000  1.0
]