data_[Na2Nd2Zn2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [7.8085]
_cell_length_b [4.0004]
_cell_length_c [9.6903]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3261]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaNdZnS3]
_chemical_formula_sum '[Na2 Nd2 Zn2 S6]'
_cell_volume [294.5469]
_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
[
  Na  Na0  2  0.2458  0.2500  0.7606  1
  Nd  Nd1  2  0.3007  0.7500  0.3665  1
  Zn  Zn2  2  0.0757  0.2500  0.1039  1
  S  S3  2  0.0410  0.2500  0.3347  1
  S  S4  2  0.2184  0.7500  0.0469  1
  S  S5  2  0.4523  0.7500  0.6568  1
]