data_[Na4Pr4Zn4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Pr  1.1300  1.8500  1.0600
  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 [18.5264]
_cell_length_b [4.0299]
_cell_length_c [7.8258]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8050]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaPrZnS3]
_chemical_formula_sum '[Na4 Pr4 Zn4 S12]'
_cell_volume [562.1866]
_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  0.1168  0.0000  0.0805  1
  Pr  Pr1  4  0.1752  0.0000  0.6028  1
  Zn  Zn2  4  0.0312  0.5000  0.7323  1
  S  S3  4  0.1607  0.5000  0.8415  1
  S  S4  4  0.1706  0.5000  0.3499  1
  S  S5  2  0.0000  0.0000  0.5000  1
  S  S6  2  0.0000  0.5000  0.0000  1
]