# generated using pymatgen
data_CuS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.62300133
_cell_length_b   3.62300133
_cell_length_c   5.32035600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998782
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuS
_chemical_formula_sum   'Cu1 S1'
_cell_volume   60.47952419
_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
  Cu  Cu0  1  0.33333300  0.66666700  0.98421400  1.0
  S  S1  1  0.66666700  0.33333300  0.89164600  1.0