data_[K2Nd2Si2S8]
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
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.5594]
_cell_length_b [6.6273]
_cell_length_c [8.8064]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9678]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KNdSiS4]
_chemical_formula_sum '[K2 Nd2 Si2 S8]'
_cell_volume [366.1563]
_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
[
  K  K0  2  0.2738  0.2500  0.0664  1.0
  Nd  Nd1  2  0.2294  0.2500  0.5511  1.0
  Si  Si2  2  0.2194  0.7500  0.3209  1.0
  S  S3  4  0.0049  0.0006  0.2817  1.0
  S  S4  2  0.4029  0.7500  0.5650  1.0
  S  S5  2  0.4150  0.7500  0.1686  1.0
]