data_NaLaFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.03
_cell_length_b   7.03
_cell_length_c   7.03
_cell_angle_alpha   151.86
_cell_angle_beta   151.86
_cell_angle_gamma   40.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLaFe
_chemical_formula_sum   'Na1 La1 Fe1'
_cell_volume   77.27
_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  0.4  1.0
  La  La1  1  0.0  0.0  0.04  1.0
  Fe  Fe0  1  0.0  0.0  0.98  1.0

data_NaLaFe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   7.03
_cell_angle_alpha   90.0
_cell_angle_beta   110.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaLaFe
_chemical_formula_sum   'Na2 La2 Fe2'
_cell_volume   154.54
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.6  1.0
  La  La1  2  0.0  0.0  0.96  1.0
  Fe  Fe2  2  0.0  0.0  0.02  1.0

Na La Fe