data_Mn3Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   4.84
_cell_angle_alpha   143.99
_cell_angle_beta   128.87
_cell_angle_gamma   64.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3Nb
_chemical_formula_sum   'Mn3 Nb1'
_cell_volume   51.4
_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  0.09  0.11  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Mn  Mn2  1  0.5  0.0  0.99  1.0
  Nb  Nb3  1  0.0  0.0  0.11  1.0

data_Mn3Nb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   4.18
_cell_length_c   4.84
_cell_angle_alpha   115.56
_cell_angle_beta   108.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3Nb
_chemical_formula_sum   'Mn3 Nb1'
_cell_volume   51.4
_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  0.0  1.0
  Mn  Mn1  1  0.0  0.99  0.49  1.0
  Mn  Mn2  1  0.91  0.02  0.02  1.0
  Nb  Nb3  1  0.0  0.11  0.11  1.0

Mn Mn Mn Nb