data_MnNb5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.72
_cell_length_b   5.72
_cell_length_c   7.28
_cell_angle_alpha   101.54
_cell_angle_beta   101.54
_cell_angle_gamma   27.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNb5
_chemical_formula_sum   'Mn1 Nb5'
_cell_volume   106.02
_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  0.55  0.0  0.04  1.0
  Nb  Nb1  1  0.01  0.0  0.05  1.0
  Nb  Nb2  1  0.82  0.0  0.15  1.0
  Nb  Nb3  1  0.76  0.0  0.52  1.0
  Nb  Nb4  1  0.65  0.0  0.68  1.0
  Nb  Nb5  1  0.67  0.0  0.86  1.0

data_MnNb5
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   5.72
_cell_length_c   7.28
_cell_angle_alpha   101.54
_cell_angle_beta   90.0
_cell_angle_gamma   103.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNb5
_chemical_formula_sum   'Mn1 Nb5'
_cell_volume   106.02
_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  0.45  0.96  1.0
  Nb  Nb1  1  0.0  0.18  0.85  1.0
  Nb  Nb2  1  0.0  0.24  0.48  1.0
  Nb  Nb3  1  0.0  0.33  0.14  1.0
  Nb  Nb4  1  0.0  0.35  0.32  1.0
  Nb  Nb5  1  0.0  0.99  0.95  1.0

Mn Nb Nb Nb Nb Nb