data_[Cs2Nd2Hf2S8]
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
  Hf  1.3000  1.5500  0.8500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.0473]
_cell_length_b [7.0914]
_cell_length_c [9.7042]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5893]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsNdHfS4]
_chemical_formula_sum '[Cs2 Nd2 Hf2 S8]'
_cell_volume [459.6674]
_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  0.2769  0.2500  0.0595  1.0
  Nd  Nd1  2  0.2071  0.2500  0.5474  1.0
  Hf  Hf2  2  0.2456  0.7500  0.3408  1.0
  S  S3  4  0.0060  0.0018  0.3115  1.0
  S  S4  2  0.4515  0.7500  0.1890  1.0
  S  S5  2  0.4698  0.7500  0.5779  1.0
]