data_TiSiMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   2.83
_cell_length_c   6.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSiMo
_chemical_formula_sum   'Ti1 Si1 Mo1'
_cell_volume   46.15
_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  Ti2  1  0.0  0.64  0.34  1.0
  Si  Si1  1  0.0  0.0  0.19  1.0
  Mo  Mo0  1  0.42  0.82  0.1  1.0

data_TiSiMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   2.83
_cell_length_c   6.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSiMo
_chemical_formula_sum   'Ti1 Si1 Mo1'
_cell_volume   46.15
_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  0.64  0.34  1.0
  Si  Si1  1  0.0  0.0  0.19  1.0
  Mo  Mo2  1  0.42  0.82  0.1  1.0

Ti Si Mo
Ti Si Mo 0 1 o + o 0 2 o o o 1 2 - - o 1 2 o - o 