data_[Nd12As6S4Cl2]
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 [18.2855]
_cell_length_b [4.1986]
_cell_length_c [8.3607]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9764]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6As3S2Cl]
_chemical_formula_sum '[Nd12 As6 S4 Cl2]'
_cell_volume [625.4946]
_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  0.0025  0.0000  0.2679  1.0
  Nd  Nd1  4  0.1691  0.5000  0.5834  1.0
  Nd  Nd2  4  0.1748  0.5000  0.0907  1.0
  As  As3  4  0.1624  0.0000  0.8348  1.0
  As  As4  2  0.0000  0.5000  0.5000  1.0
  S  S5  4  0.1661  0.0000  0.3317  1.0
  Cl  Cl6  2  0.0000  0.5000  0.0000  1.0
]