data_TaSiTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.23
_cell_length_b   7.05
_cell_length_c   3.08
_cell_angle_alpha   80.82
_cell_angle_beta   74.27
_cell_angle_gamma   24.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSiTe
_chemical_formula_sum   'Ta1 Si1 Te1'
_cell_volume   62.26
_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  Ta1  1  0.86  0.46  0.66  1.0
  Si  Si0  1  0.86  0.46  0.26  1.0
  Te  Te2  1  0.86  0.46  0.27  1.0

data_TaSiTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.72
_cell_length_b   13.6
_cell_length_c   3.08
_cell_angle_alpha   90.0
_cell_angle_beta   127.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaSiTe
_chemical_formula_sum   'Ta2 Si2 Te2'
_cell_volume   124.52
_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  0.46  0.0  0.47  1.0
  Si  Si1  2  0.46  0.0  0.87  1.0
  Te  Te2  2  0.46  0.0  0.87  1.0

Ta Si Te
Ta Si Te 0 2 o o o 0 1 o o o 1 2 o o o 