data_[Cs2Nd2Zn2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Nd  1.1400  1.8500  1.2765
  Zn  1.6500  1.3500  0.8800
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.5675]
_cell_length_b [4.1426]
_cell_length_c [9.9406]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6115]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsNdZnS3]
_chemical_formula_sum '[Cs2 Nd2 Zn2 S6]'
_cell_volume [371.1370]
_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
[
  Cs  Cs0  2  0.2068  0.2500  0.2365  1.0
  Nd  Nd1  2  0.3335  0.7500  0.8554  1.0
  Zn  Zn2  2  0.0813  0.2500  0.6100  1.0
  S  S3  2  0.1256  0.2500  0.8525  1.0
  S  S4  2  0.1760  0.7500  0.5378  1.0
  S  S5  2  0.4681  0.7500  0.1518  1.0
]