data_[Nd12Ge4S2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ge  2.0100  1.2500  0.7700
  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 [18.4502]
_cell_length_b [4.2164]
_cell_length_c [8.3870]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0541]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6Ge2SCl3]
_chemical_formula_sum '[Nd12 Ge4 S2 Cl6]'
_cell_volume [632.9339]
_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  0.0033  0.0000  0.2256  1.0
  Nd  Nd1  4  0.1561  0.5000  0.0907  1.0
  Nd  Nd2  4  0.1718  0.5000  0.5724  1.0
  Ge  Ge3  4  0.1649  0.0000  0.3315  1.0
  S  S4  2  0.0000  0.5000  0.0000  1.0
  Cl  Cl5  4  0.1730  0.0000  0.8381  1.0
  Cl  Cl6  2  0.0000  0.5000  0.5000  1.0
]