data_NaGaFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.57
_cell_length_b   3.13
_cell_length_c   7.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaGaFe2
_chemical_formula_sum   'Na1 Ga1 Fe2'
_cell_volume   61.43
_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  Na3  1  0.0  0.0  0.89  1.0
  Ga  Ga2  1  0.29  0.56  0.32  1.0
  Fe  Fe0  1  0.29  0.56  0.6  1.0
  Fe  Fe1  1  0.0  0.0  0.65  1.0

data_NaGaFe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.57
_cell_length_b   3.13
_cell_length_c   7.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaGaFe2
_chemical_formula_sum   'Na1 Ga1 Fe2'
_cell_volume   61.43
_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  0.0  0.0  0.89  1.0
  Ga  Ga1  1  0.29  0.56  0.32  1.0
  Fe  Fe2  1  0.0  0.0  0.65  1.0
  Fe  Fe3  1  0.29  0.56  0.6  1.0

Na Ga Fe Fe
Na Ga Fe Fe 0 3 o o o 1 1 + o o 1 2 o o o 2 3 o o o 2 3 o + o 