data_[Na4Nd4Zn4S12]
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 [C2/m]
_cell_length_a [18.3485]
_cell_length_b [4.0066]
_cell_length_c [7.8404]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4142]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaNdZnS3]
_chemical_formula_sum '[Na4 Nd4 Zn4 S12]'
_cell_volume [555.6573]
_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
[
  Na  Na0  4  0.1189  0.0000  0.0791  1
  Nd  Nd1  4  0.1746  0.0000  0.5993  1
  Zn  Zn2  4  0.0309  0.5000  0.7322  1
  S  S3  4  0.1615  0.5000  0.8374  1
  S  S4  4  0.1706  0.5000  0.3498  1
  S  S5  2  0.0000  0.0000  0.5000  1
  S  S6  2  0.0000  0.5000  0.0000  1
]