data_Mn4Nb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   4.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn4Nb3
_chemical_formula_sum   'Mn4 Nb3'
_cell_volume   104.48
_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
  Mn  Mn0  1  0.0  0.0  0.72  1.0
  Mn  Mn1  1  0.0  0.0  0.96  1.0
  Mn  Mn2  1  0.0  0.93  0.0  1.0
  Mn  Mn3  1  0.54  0.47  0.0  1.0
  Nb  Nb4  1  0.54  0.0  0.34  1.0
  Nb  Nb5  1  0.73  0.2  0.34  1.0
  Nb  Nb6  1  0.27  0.2  0.34  1.0

data_Mn4Nb3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.68
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn4Nb3
_chemical_formula_sum   'Mn4 Nb3'
_cell_volume   104.48
_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
  Mn  Mn0  1  0.0  -0.0  0.93  1.0
  Mn  Mn1  1  0.0  0.54  0.47  1.0
  Mn  Mn2  1  0.72  0.0  0.0  1.0
  Mn  Mn3  1  0.96  0.0  0.0  1.0
  Nb  Nb4  1  0.34  0.27  0.2  1.0
  Nb  Nb5  1  0.34  0.54  0.0  1.0
  Nb  Nb6  1  0.34  0.73  0.2  1.0

Mn Mn Mn Mn Nb Nb Nb
Mn Mn Mn Mn Nb Nb Nb 0 2 o - + 0 1 o o o 0 6 o o o 1 2 o - + 1 3 o o + 1 3 - - + 1 6 o o + 2 3 o + o 2 3 - o o 2 6 o + o 3 6 o o o 3 5 o o o 4 5 o o o 4 6 o o o 5 6 o o o 