data_Mn4Nb5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.7
_cell_length_b   6.7
_cell_length_c   6.7
_cell_angle_alpha   93.2
_cell_angle_beta   93.2
_cell_angle_gamma   152.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn4Nb5
_chemical_formula_sum   'Mn4 Nb5'
_cell_volume   134.08
_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  0.21  0.0  1.0
  Mn  Mn1  1  0.0  0.99  0.0  1.0
  Mn  Mn2  1  0.21  0.0  0.0  1.0
  Mn  Mn3  1  0.99  0.0  0.0  1.0
  Nb  Nb4  1  0.0  0.0  0.0  1.0
  Nb  Nb5  1  0.04  0.04  0.0  1.0
  Nb  Nb6  1  0.44  0.56  0.58  1.0
  Nb  Nb7  1  0.56  0.44  0.58  1.0
  Nb  Nb8  1  0.56  0.56  0.58  1.0

data_Mn4Nb5
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.17
_cell_length_b   13.01
_cell_length_c   6.7
_cell_angle_alpha   90.0
_cell_angle_beta   103.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mn4Nb5
_chemical_formula_sum   'Mn8 Nb10'
_cell_volume   268.17
_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
  Mn  Mn0  4  0.01  0.01  -0.0  1.0
  Mn  Mn1  4  0.39  0.39  -0.0  1.0
  Nb  Nb2  4  0.0  0.44  0.42  1.0
  Nb  Nb3  2  0.0  0.0  0.0  1.0
  Nb  Nb4  2  0.44  0.0  0.42  1.0
  Nb  Nb5  2  0.46  0.5  -0.0  1.0

Mn Mn Mn Mn Nb Nb Nb Nb Nb