data_[La1Ce1Nd2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ce  1.1200  1.8500  1.0800
  Nd  1.1400  1.8500  1.2765
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.0718]
_cell_length_b [4.0862]
_cell_length_c [7.0969]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5275]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [LaCe(NdS2)2]
_chemical_formula_sum '[La1 Ce1 Nd2 S4]'
_cell_volume [193.2779]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Ce  Ce1  1  0.0000  0.5000  0.5000  1.0
  Nd  Nd2  1  0.5000  0.0000  0.5000  1.0
  Nd  Nd3  1  0.5000  0.5000  0.0000  1.0
  S  S4  2  0.2494  0.0000  0.7462  1.0
  S  S5  2  0.2523  0.5000  0.2545  1.0
]