data_[Na2Zn2Cu2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [6.4194]
_cell_length_b [5.0405]
_cell_length_c [6.4921]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.8919]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [NaZnCuS2]
_chemical_formula_sum '[Na2 Zn2 Cu2 S4]'
_cell_volume [205.5564]
_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  0.5000  0.1990  0.2500  1
  Zn  Zn1  2  0.0000  0.4978  0.2500  1
  Cu  Cu2  2  0.0000  0.0000  0.0000  1
  S  S3  4  0.2396  0.3015  0.5477  1
]