data_TcSb2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   3.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcSb2Te
_chemical_formula_sum   'Tc1 Sb2 Te1'
_cell_volume   90.67
_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
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Sb  Sb0  1  0.56  0.94  0.76  1.0
  Sb  Sb1  1  0.56  0.06  0.76  1.0
  Te  Te3  1  0.13  0.0  0.0  1.0

data_TcSb2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   105.66
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcSb2Te
_chemical_formula_sum   'Tc1 Sb2 Te1'
_cell_volume   90.67
_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
  Tc  Tc0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.76  0.56  0.06  1.0
  Sb  Sb2  1  0.76  0.56  0.94  1.0
  Te  Te3  1  0.0  0.13  0.0  1.0

Tc Sb Sb Te
Tc Sb Sb Te 0 3 o o o 1 2 o + o 