data_TiMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.83
_cell_length_b   7.83
_cell_length_c   7.83
_cell_angle_alpha   33.28
_cell_angle_beta   33.28
_cell_angle_gamma   33.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiMo
_chemical_formula_sum   'Ti4 Mo4'
_cell_volume   128.55
_cell_formula_units_Z   4
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  Ti4  1  0.0  0.0  0.08  1.0
  Ti  Ti5  1  0.0  0.0  0.85  1.0
  Ti  Ti6  1  0.0  0.0  0.0  1.0
  Ti  Ti7  1  0.0  0.0  0.31  1.0
  Mo  Mo0  1  0.0  0.0  0.55  1.0
  Mo  Mo1  1  0.0  0.0  0.81  1.0
  Mo  Mo2  1  0.0  0.0  0.35  1.0
  Mo  Mo3  1  0.0  0.0  0.61  1.0

data_TiMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.76
_cell_length_b   4.48
_cell_length_c   7.83
_cell_angle_alpha   90.0
_cell_angle_beta   109.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiMo
_chemical_formula_sum   'Ti8 Mo8'
_cell_volume   257.09
_cell_formula_units_Z   8
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Ti  Ti1  2  0.0  0.0  0.92  1.0
  Ti  Ti2  2  0.0  0.0  0.15  1.0
  Ti  Ti3  2  0.0  0.0  0.69  1.0
  Mo  Mo4  2  0.0  0.0  0.39  1.0
  Mo  Mo5  2  0.0  0.0  0.45  1.0
  Mo  Mo6  2  0.0  0.0  0.19  1.0
  Mo  Mo7  2  0.0  0.0  0.65  1.0

Ti Ti Ti Ti Mo Mo Mo Mo