The structure described by Na3Cu4S4 crystallizes in the orthorhombic Pbam space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to two equivalent S(2) and four equivalent S(1) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to two equivalent S(1) and four equivalent S(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted trigonal planar geometry to one S(1) and two equivalent S(2) atoms. In the second Cu site, Cu(2) is bonded in a distorted trigonal planar geometry to one S(2) and two equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 8-coordinate geometry to one Na(2), four equivalent Na(1), one Cu(1), and two equivalent Cu(2) atoms. In the second S site, S(2) is bonded in a 7-coordinate geometry to two equivalent Na(1), two equivalent Na(2), one Cu(2), and two equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_Na3(CuS)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.715
_cell_length_b   7.174
_cell_length_c   14.429
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   384.544
_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  1  0.000  0.478  0.737  1.0
  Na  Na1  1  0.000  0.522  0.263  1.0
  Na  Na2  1  0.000  0.022  0.237  1.0
  Na  Na3  1  0.500  0.500  0.500  1.0
  Na  Na4  1  0.500  0.000  0.000  1.0
  Na  Na5  1  0.000  0.978  0.763  1.0
  Cu  Cu6  1  0.500  0.921  0.588  1.0
  Cu  Cu7  1  0.000  0.333  0.061  1.0
  Cu  Cu8  1  0.500  0.421  0.912  1.0
  Cu  Cu9  1  0.000  0.833  0.439  1.0
  Cu  Cu10  1  0.500  0.079  0.412  1.0
  Cu  Cu11  1  0.000  0.167  0.561  1.0
  Cu  Cu12  1  0.000  0.667  0.939  1.0
  Cu  Cu13  1  0.500  0.579  0.088  1.0
  S  S14  1  0.500  0.786  0.349  1.0
  S  S15  1  0.500  0.714  0.849  1.0
  S  S16  1  0.500  0.286  0.151  1.0
  S  S17  1  0.000  0.744  0.591  1.0
  S  S18  1  0.000  0.244  0.909  1.0
  S  S19  1  0.000  0.256  0.409  1.0
  S  S20  1  0.000  0.756  0.091  1.0
  S  S21  1  0.500  0.214  0.651  1.0
[/CIF]
.
The structure described by Na3Cu4S4 crystallizes in the orthorhombic Pbam space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to two equivalent S(2) and four equivalent S(1) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to two equivalent S(1) and four equivalent S(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted trigonal planar geometry to one S(1) and two equivalent S(2) atoms. In the second Cu site, Cu(2) is bonded in a distorted trigonal planar geometry to one S(2) and two equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 8-coordinate geometry to one Na(2), four equivalent Na(1), one Cu(1), and two equivalent Cu(2) atoms. In the second S site, S(2) is bonded in a 7-coordinate geometry to two equivalent Na(1), two equivalent Na(2), one Cu(2), and two equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_Na3(CuS)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.715
_cell_length_b   7.174
_cell_length_c   14.429
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   384.544
_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  1  0.000  0.478  0.737  1.0
  Na  Na1  1  0.000  0.522  0.263  1.0
  Na  Na2  1  0.000  0.022  0.237  1.0
  Na  Na3  1  0.500  0.500  0.500  1.0
  Na  Na4  1  0.500  0.000  0.000  1.0
  Na  Na5  1  0.000  0.978  0.763  1.0
  Cu  Cu6  1  0.500  0.921  0.588  1.0
  Cu  Cu7  1  0.000  0.333  0.061  1.0
  Cu  Cu8  1  0.500  0.421  0.912  1.0
  Cu  Cu9  1  0.000  0.833  0.439  1.0
  Cu  Cu10  1  0.500  0.079  0.412  1.0
  Cu  Cu11  1  0.000  0.167  0.561  1.0
  Cu  Cu12  1  0.000  0.667  0.939  1.0
  Cu  Cu13  1  0.500  0.579  0.088  1.0
  S  S14  1  0.500  0.786  0.349  1.0
  S  S15  1  0.500  0.714  0.849  1.0
  S  S16  1  0.500  0.286  0.151  1.0
  S  S17  1  0.000  0.744  0.591  1.0
  S  S18  1  0.000  0.244  0.909  1.0
  S  S19  1  0.000  0.256  0.409  1.0
  S  S20  1  0.000  0.756  0.091  1.0
  S  S21  1  0.500  0.214  0.651  1.0
[/CIF]
.