data_TiMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.44
_cell_length_b   9.44
_cell_length_c   2.79
_cell_angle_alpha   95.53
_cell_angle_beta   95.53
_cell_angle_gamma   146.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiMo
_chemical_formula_sum   'Ti4 Mo4'
_cell_volume   128.95
_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  0.36  0.48  0.0  1.0
  Ti  Ti5  1  0.25  0.79  0.31  1.0
  Ti  Ti6  1  0.36  0.52  0.0  1.0
  Ti  Ti7  1  0.25  0.21  0.31  1.0
  Mo  Mo0  1  0.05  0.0  0.04  1.0
  Mo  Mo1  1  0.25  0.81  0.31  1.0
  Mo  Mo2  1  0.25  0.19  0.31  1.0
  Mo  Mo3  1  0.45  0.0  0.58  1.0

data_TiMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   5.22
_cell_length_c   9.44
_cell_angle_alpha   104.42
_cell_angle_beta   95.53
_cell_angle_gamma   100.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiMo
_chemical_formula_sum   'Ti4 Mo4'
_cell_volume   128.95
_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  Ti0  1  0.1  0.79  0.05  1.0
  Ti  Ti1  1  0.48  0.48  0.84  1.0
  Ti  Ti2  1  0.52  0.52  0.88  1.0
  Ti  Ti3  1  0.52  0.21  0.46  1.0
  Mo  Mo4  1  0.04  0.0  0.05  1.0
  Mo  Mo5  1  0.12  0.81  0.06  1.0
  Mo  Mo6  1  0.5  0.19  0.44  1.0
  Mo  Mo7  1  0.58  0.0  0.45  1.0

Ti Ti Ti Ti Mo Mo Mo Mo