data_TiNbMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   144.48
_cell_angle_beta   127.15
_cell_angle_gamma   65.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNbMo2
_chemical_formula_sum   'Ti1 Nb1 Mo2'
_cell_volume   65.81
_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  0.0  1.0
  Nb  Nb2  1  0.0  0.0  0.41  1.0
  Mo  Mo0  1  0.0  0.33  0.18  1.0
  Mo  Mo1  1  0.6  0.0  0.23  1.0

data_TiNbMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.66
_cell_length_c   5.24
_cell_angle_alpha   116.42
_cell_angle_beta   107.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNbMo2
_chemical_formula_sum   'Ti1 Nb1 Mo2'
_cell_volume   65.81
_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  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.0  0.41  0.41  1.0
  Mo  Mo2  1  0.0  0.23  0.63  1.0
  Mo  Mo3  1  0.67  0.85  0.85  1.0

Ti Nb Mo Mo
Ti Nb Mo Mo 0 2 o o o 1 3 - o o 