data_[Pr2Nd4Y6S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.5421]
_cell_length_b [3.9634]
_cell_length_c [8.0696]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4050]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrNd2(YS2)3]
_chemical_formula_sum '[Pr2 Nd4 Y6 S12]'
_cell_volume [543.4119]
_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
[
  Pr  Pr0  2  0.0000  0.5000  0.0000  1.0
  Nd  Nd1  4  0.1666  0.0000  0.3331  1.0
  Y  Y2  4  0.1663  0.0000  0.8333  1.0
  Y  Y3  2  0.0000  0.5000  0.5000  1.0
  S  S4  4  0.0031  0.0000  0.7395  1.0
  S  S5  4  0.1635  0.5000  0.5917  1.0
  S  S6  4  0.1707  0.5000  0.0753  1.0
]