# generated using pymatgen
data_NaFeCuS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.85478392
_cell_length_b   3.84965833
_cell_length_c   6.88103646
_cell_angle_alpha   89.99999922
_cell_angle_beta   90.05400161
_cell_angle_gamma   119.95602508
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaFeCuS2
_chemical_formula_sum   'Na1 Fe1 Cu1 S2'
_cell_volume   88.47055102
_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  0.00020500  0.00010200  0.99355400  1.0
  Fe  Fe1  1  0.66738000  0.33369000  0.38786200  1.0
  Cu  Cu2  1  0.33243300  0.66621700  0.62061900  1.0
  S  S3  1  0.66710500  0.33355200  0.72623700  1.0
  S  S4  1  0.33287700  0.66643900  0.27172900  1.0