data_TaSi2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34
_cell_length_b   3.93
_cell_length_c   4.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSi2Mo
_chemical_formula_sum   'Ta1 Si2 Mo1'
_cell_volume   60.76
_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
  Ta  Ta3  1  0.0  0.96  0.32  1.0
  Si  Si1  1  0.67  0.0  0.32  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Mo  Mo0  1  0.67  0.96  0.0  1.0

data_TaSi2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   3.93
_cell_length_c   4.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSi2Mo
_chemical_formula_sum   'Ta1 Si2 Mo1'
_cell_volume   60.76
_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
  Ta  Ta0  1  0.0  0.96  0.32  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Si  Si2  1  0.67  0.0  0.32  1.0
  Mo  Mo3  1  0.67  0.96  -0.0  1.0

Ta Si Si Mo
Ta Si Si Mo 0 1 - + o 2 3 - - o 