data_TiMnNb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   145.72
_cell_angle_beta   128.75
_cell_angle_gamma   63.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiMnNb2
_chemical_formula_sum   'Ti1 Mn1 Nb2'
_cell_volume   63.25
_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
  Ti  Ti3  1  0.0  0.0  0.32  1.0
  Mn  Mn0  1  0.55  0.0  0.23  1.0
  Nb  Nb1  1  0.0  0.0  0.16  1.0
  Nb  Nb2  1  0.0  0.28  0.27  1.0

data_TiMnNb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.55
_cell_length_c   5.26
_cell_angle_alpha   115.62
_cell_angle_beta   107.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiMnNb2
_chemical_formula_sum   'Ti1 Mn1 Nb2'
_cell_volume   63.25
_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
  Ti  Ti0  1  0.68  0.68  0.68  1.0
  Mn  Mn1  1  0.33  0.77  0.33  1.0
  Nb  Nb2  1  0.73  0.01  0.01  1.0
  Nb  Nb3  1  0.84  0.84  0.84  1.0

Ti Mn Nb Nb