data_SiTeMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   142.88
_cell_angle_beta   142.88
_cell_angle_gamma   53.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiTeMo
_chemical_formula_sum   'Si1 Te1 Mo1'
_cell_volume   54.63
_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
  Si  Si1  1  0.0  0.0  0.05  1.0
  Te  Te2  1  0.0  0.0  0.2  1.0
  Mo  Mo0  1  0.0  0.0  0.26  1.0

data_SiTeMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   5.32
_cell_angle_alpha   90.0
_cell_angle_beta   116.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SiTeMo
_chemical_formula_sum   'Si2 Te2 Mo2'
_cell_volume   109.26
_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
  Si  Si0  2  0.05  0.0  0.05  1.0
  Te  Te1  2  0.2  0.0  0.2  1.0
  Mo  Mo2  2  0.26  0.0  0.26  1.0

Si Te Mo