data_NaMnNb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   5.48
_cell_angle_alpha   147.65
_cell_angle_beta   124.82
_cell_angle_gamma   65.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMnNb2
_chemical_formula_sum   'Na1 Mn1 Nb2'
_cell_volume   71.66
_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  Na1  1  0.0  0.0  0.0  1.0
  Mn  Mn0  1  0.0  0.0  0.61  1.0
  Nb  Nb2  1  0.0  0.54  0.87  1.0
  Nb  Nb3  1  0.53  0.0  0.74  1.0

data_NaMnNb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   5.08
_cell_length_c   5.48
_cell_angle_alpha   117.59
_cell_angle_beta   106.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMnNb2
_chemical_formula_sum   'Na1 Mn1 Nb2'
_cell_volume   71.66
_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
  Mn  Mn1  1  0.39  0.39  0.39  1.0
  Nb  Nb2  1  0.13  0.67  0.67  1.0
  Nb  Nb3  1  0.79  0.26  0.79  1.0

Na Mn Nb Nb
Na Mn Nb Nb 0 3 - o - 0 2 o - - 0 1 o o - 1 2 o o o 1 2 o - - 1 3 o o o 