# generated using pymatgen
data_NaFeAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93105349
_cell_length_b   3.93305651
_cell_length_c   19.37417273
_cell_angle_alpha   89.99999962
_cell_angle_beta   90.01227873
_cell_angle_gamma   120.01685713
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaFeAs
_chemical_formula_sum   'Na4 Fe4 As4'
_cell_volume   259.36963420
_cell_formula_units_Z   4
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  0.33570800  0.66785400  0.65112700  1.0
  Na  Na1  1  0.66429200  0.33214600  0.34887300  1.0
  Na  Na2  1  0.99935000  0.99967500  0.18191000  1.0
  Na  Na3  1  0.00065000  0.00032500  0.81809000  1.0
  Fe  Fe4  1  0.00000000  0.00000000  0.50000000  1.0
  Fe  Fe5  1  0.00000000  0.00000000  0.00000000  1.0
  Fe  Fe6  1  0.33326000  0.66663000  0.04155400  1.0
  Fe  Fe7  1  0.66674000  0.33337000  0.95844600  1.0
  As  As8  1  0.33330600  0.66665300  0.91906000  1.0
  As  As9  1  0.66669400  0.33334700  0.08094000  1.0
  As  As10  1  0.33280200  0.66640100  0.44989300  1.0
  As  As11  1  0.66719800  0.33359900  0.55010700  1.0