data_TiSb2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   133.91
_cell_angle_beta   133.91
_cell_angle_gamma   67.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSb2Mo
_chemical_formula_sum   'Ti1 Sb2 Mo1'
_cell_volume   77.42
_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
  Sb  Sb1  1  0.0  0.0  0.44  1.0
  Sb  Sb2  1  0.0  0.09  0.22  1.0
  Mo  Mo0  1  0.09  0.0  0.22  1.0

data_TiSb2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.18
_cell_length_b   4.18
_cell_length_c   5.33
_cell_angle_alpha   113.05
_cell_angle_beta   113.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSb2Mo
_chemical_formula_sum   'Ti1 Sb2 Mo1'
_cell_volume   77.42
_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
  Sb  Sb1  1  0.56  0.0  0.56  1.0
  Sb  Sb2  1  0.87  0.09  0.87  1.0
  Mo  Mo3  1  0.78  0.0  0.87  1.0

Ti Sb Sb Mo