data_[K8Nd4Sb4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Nd  1.1400  1.8500  1.2765
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.4446]
_cell_length_b [8.5402]
_cell_length_c [12.0115]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [K2NdSbS4]
_chemical_formula_sum '[K8 Nd4 Sb4 S16]'
_cell_volume [866.2490]
_cell_formula_units_Z [4]
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
[
  K  K0  4  0.0000  0.0000  0.5000  1.0
  K  K1  4  0.2500  0.2500  0.2500  1.0
  Nd  Nd2  4  0.0000  0.0000  0.0000  1.0
  Sb  Sb3  4  0.2500  0.2500  0.7500  1.0
  S  S4  8  0.0000  0.0297  0.7620  1.0
  S  S5  8  0.2256  0.2500  0.9836  1.0
]