data_Na2LaFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.16
_cell_length_b   6.16
_cell_length_c   6.16
_cell_angle_alpha   131.81
_cell_angle_beta   131.81
_cell_angle_gamma   70.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2LaFe
_chemical_formula_sum   'Na2 La1 Fe1'
_cell_volume   126.99
_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  Na2  1  0.0  0.0  0.0  1.0
  Na  Na3  1  0.51  0.0  0.51  1.0
  La  La1  1  0.0  0.51  0.51  1.0
  Fe  Fe0  1  0.0  0.0  0.03  1.0

data_Na2LaFe
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   6.16
_cell_angle_alpha   114.1
_cell_angle_beta   114.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2LaFe
_chemical_formula_sum   'Na2 La1 Fe1'
_cell_volume   126.99
_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  0.0  1.0
  Na  Na1  1  0.51  1.0  1.0  1.0
  La  La2  1  1.0  0.51  1.0  1.0
  Fe  Fe3  1  0.03  0.03  0.03  1.0

Na Na La Fe