# generated using pymatgen
data_NaFeAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.87676772
_cell_length_b   3.87676772
_cell_length_c   7.32216623
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaFeAs
_chemical_formula_sum   'Na2 Fe2 As2'
_cell_volume   110.04723761
_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  0.75000000  0.75000000  0.35718430  1.0
  Na  Na1  1  0.25000000  0.25000000  0.64281570  1.0
  Fe  Fe2  1  0.75000000  0.25000000  0.00000000  1.0
  Fe  Fe3  1  0.25000000  0.75000000  0.00000000  1.0
  As  As4  1  0.25000000  0.25000000  0.21371917  1.0
  As  As5  1  0.75000000  0.75000000  0.78628083  1.0