# generated using pymatgen
data_NaCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95140292
_cell_length_b   3.95140217
_cell_length_c   3.95140200
_cell_angle_alpha   59.99998470
_cell_angle_beta   59.99999098
_cell_angle_gamma   59.99999738
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCl
_chemical_formula_sum   'Na1 Cl1'
_cell_volume   43.62532547
_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  0.00000000  1
  Cl  Cl1  1  0.50000000  0.50000000  0.50000000  1
