data_[La4Nd6Sm2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1211]
_cell_length_b [12.2935]
_cell_length_c [7.0503]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8332]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Nd3SmS6]
_chemical_formula_sum '[La4 Nd6 Sm2 S12]'
_cell_volume [580.5955]
_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
[
  La  La0  4  0.0000  0.3339  0.0000  1.0
  Nd  Nd1  4  0.0000  0.1680  0.5000  1.0
  Nd  Nd2  2  0.0000  0.5000  0.5000  1.0
  Sm  Sm3  2  0.0000  0.0000  0.0000  1.0
  S  S4  8  0.2474  0.1640  0.2505  1.0
  S  S5  4  0.2436  0.0000  0.7474  1.0
]