data_[Nd4Y2Th6S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
  Th  1.3000  1.8000  1.0800
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9618]
_cell_length_b [11.9659]
_cell_length_c [7.0488]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9156]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2Y(ThS2)3]
_chemical_formula_sum '[Nd4 Y2 Th6 S12]'
_cell_volume [555.4864]
_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  0.0000  0.3339  0.0000  1
  Y  Y1  2  0.0000  0.0000  0.0000  1
  Th  Th2  4  0.0000  0.1710  0.5000  1
  Th  Th3  2  0.0000  0.5000  0.5000  1
  S  S4  8  0.2432  0.1625  0.2431  1
  S  S5  4  0.2416  0.0000  0.7507  1
]