data_[Ce4Nd2Y6S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  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 [6.8554]
_cell_length_b [11.8858]
_cell_length_c [6.9502]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2557]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2Nd(YS2)3]
_chemical_formula_sum '[Ce4 Nd2 Y6 S12]'
_cell_volume [534.6343]
_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
[
  Ce  Ce0  4  0.0000  0.3335  0.0000  1
  Nd  Nd1  2  0.0000  0.0000  0.0000  1
  Y  Y2  4  0.0000  0.1640  0.5000  1
  Y  Y3  2  0.0000  0.5000  0.5000  1
  S  S4  8  0.2447  0.3321  0.7377  1
  S  S5  4  0.2492  0.0000  0.7399  1
]