data_[Na4Ca2Zn4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  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 [15.2535]
_cell_length_b [3.8971]
_cell_length_c [8.0370]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.1386]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Ca(ZnS2)2]
_chemical_formula_sum '[Na4 Ca2 Zn4 S8]'
_cell_volume [408.9219]
_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  4  0.1203  0.0000  0.6917  1.0
  Ca  Ca1  2  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  4  0.1665  0.5000  0.3718  1.0
  S  S3  4  0.0059  0.5000  0.7543  1.0
  S  S4  4  0.2256  0.0000  0.2757  1.0
]