data_NaLaFeMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   4.78
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLaFeMo
_chemical_formula_sum   'Na1 La1 Fe1 Mo1'
_cell_volume   77.39
_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  0.0  1.0
  La  La1  1  0.69  0.69  0.69  1.0
  Fe  Fe0  1  0.38  0.38  0.38  1.0
  Mo  Mo2  1  0.07  0.07  0.07  1.0

data_NaLaFeMo
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   11.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NaLaFeMo
_chemical_formula_sum   'Na3 La3 Fe3 Mo3'
_cell_volume   232.17
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  La  La1  3  0.0  0.0  0.31  1.0
  Fe  Fe2  3  0.0  0.0  0.62  1.0
  Mo  Mo3  3  0.0  0.0  0.93  1.0

Na La Fe Mo
NaLaMoFe crystallizes in the trigonal R3m space group. Na(1) is bonded in a single-bond geometry to four equivalent La(1), one Mo(1), and three equivalent Fe(1) atoms. There are three shorter (2.78 Å) and one longer (3.62 Å) Na(1)-La(1) bond length. The Na(1)-Mo(1) bond length is 0.86 Å. All Na(1)-Fe(1) bond lengths are 2.82 Å. La(1) is bonded in a 11-coordinate geometry to four equivalent Na(1), three equivalent Mo(1), and four equivalent Fe(1) atoms. All La(1)-Mo(1) bond lengths are 2.82 Å. There are three shorter (2.78 Å) and one longer (3.62 Å) La(1)-Fe(1) bond length. Mo(1) is bonded in a single-bond geometry to one Na(1), three equivalent La(1), and four equivalent Fe(1) atoms. There are three shorter (2.78 Å) and one longer (3.62 Å) Mo(1)-Fe(1) bond length. Fe(1) is bonded in a 11-coordinate geometry to three equivalent Na(1), four equivalent La(1), and four equivalent Mo(1) atoms.