data_[Rb6La2Nd4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3759]
_cell_length_b [12.7757]
_cell_length_c [8.0926]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6810]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3La(NdS3)2]
_chemical_formula_sum '[Rb6 La2 Nd4 S12]'
_cell_volume [726.5613]
_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
[
  Rb  Rb0  4  0.0000  0.1667  0.5000  1.0
  Rb  Rb1  2  0.0000  0.5000  0.5000  1.0
  La  La2  2  0.0000  0.0000  0.0000  1.0
  Nd  Nd3  4  0.0000  0.3333  0.0000  1.0
  S  S4  8  0.2343  0.1685  0.1974  1.0
  S  S5  4  0.2288  0.5000  0.1975  1.0
]