data_Ta(SiTe)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.85
_cell_length_b   8.85
_cell_length_c   8.85
_cell_angle_alpha   157.3
_cell_angle_beta   157.3
_cell_angle_gamma   32.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta(SiTe)2
_chemical_formula_sum   'Ta1 Si2 Te2'
_cell_volume   103.05
_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  0.0  0.0  0.0  1.0
  Si  Si0  1  0.0  0.74  0.25  1.0
  Si  Si1  1  0.74  0.0  0.25  1.0
  Te  Te3  1  0.0  0.0  0.11  1.0
  Te  Te4  1  0.0  0.0  0.89  1.0

data_Ta(SiTe)2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   8.85
_cell_angle_alpha   90.0
_cell_angle_beta   106.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta(SiTe)2
_chemical_formula_sum   'Ta2 Si4 Te4'
_cell_volume   206.1
_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  0.0  0.0  0.0  1.0
  Si  Si1  4  0.37  0.63  0.49  1.0
  Te  Te2  2  0.0  0.0  0.11  1.0
  Te  Te3  2  0.0  0.0  0.89  1.0

Ta Si Si Te Te