data_TaSiMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.58
_cell_length_b   6.39
_cell_length_c   2.84
_cell_angle_alpha   81.15
_cell_angle_beta   73.63
_cell_angle_gamma   25.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSiMo
_chemical_formula_sum   'Ta1 Si1 Mo1'
_cell_volume   47.31
_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  Ta2  1  0.67  0.29  0.03  1.0
  Si  Si1  1  0.67  0.29  0.19  1.0
  Mo  Mo0  1  0.67  0.29  0.12  1.0

data_TaSiMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.34
_cell_length_b   12.34
_cell_length_c   2.84
_cell_angle_alpha   90.0
_cell_angle_beta   126.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaSiMo
_chemical_formula_sum   'Ta2 Si2 Mo2'
_cell_volume   94.62
_cell_formula_units_Z   2
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
  Ta  Ta0  2  0.29  0.0  0.3  1.0
  Si  Si1  2  0.29  0.0  0.13  1.0
  Mo  Mo2  2  0.29  0.0  0.21  1.0

Ta Si Mo