# generated using pymatgen
data_Na(CuS)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.79288398
_cell_length_b   3.79288295
_cell_length_c   12.04669812
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000013
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na(CuS)4
_chemical_formula_sum   'Na1 Cu4 S4'
_cell_volume   150.08512690
_cell_formula_units_Z   1
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  0.00000000  0.00000000  0.50000000  1.0
  Cu  Cu1  1  0.66666700  0.33333300  0.85182584  1.0
  Cu  Cu2  1  0.33333300  0.66666700  0.14817416  1.0
  Cu  Cu3  1  0.33333300  0.66666700  0.68787611  1.0
  Cu  Cu4  1  0.66666700  0.33333300  0.31212389  1.0
  S  S5  1  0.00000000  0.00000000  0.91292467  1.0
  S  S6  1  0.00000000  0.00000000  0.08707533  1.0
  S  S7  1  0.66666700  0.33333300  0.65851913  1.0
  S  S8  1  0.33333300  0.66666700  0.34148087  1.0