data_Ta2SbTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.3
_cell_length_b   5.12
_cell_length_c   4.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2SbTe
_chemical_formula_sum   'Ta2 Sb1 Te1'
_cell_volume   83.1
_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  0.82  0.56  0.76  1.0
  Ta  Ta2  1  0.17  0.0  0.82  1.0
  Sb  Sb0  1  0.88  0.0  0.2  1.0
  Te  Te3  1  0.19  0.56  0.53  1.0

data_Ta2SbTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   4.93
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2SbTe
_chemical_formula_sum   'Ta2 Sb1 Te1'
_cell_volume   83.1
_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  0.18  0.24  0.44  1.0
  Ta  Ta1  1  0.83  0.18  0.0  1.0
  Sb  Sb2  1  0.12  0.8  0.0  1.0
  Te  Te3  1  0.81  0.47  0.44  1.0

Ta Ta Sb Te
Ta Ta Sb Te 0 3 + o o 0 1 + + o 1 2 - o + 1 3 o - o 