data_TcSnTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   6.97
_cell_angle_alpha   111.41
_cell_angle_beta   111.41
_cell_angle_gamma   36.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcSnTe2
_chemical_formula_sum   'Tc1 Sn1 Te2'
_cell_volume   107.02
_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  Tc1  1  0.08  0.0  0.02  1.0
  Sn  Sn0  1  0.89  0.0  0.04  1.0
  Te  Te2  1  0.67  0.0  0.09  1.0
  Te  Te3  1  0.58  0.0  0.94  1.0

data_TcSnTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   5.26
_cell_length_c   6.97
_cell_angle_alpha   111.41
_cell_angle_beta   90.0
_cell_angle_gamma   108.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcSnTe2
_chemical_formula_sum   'Tc1 Sn1 Te2'
_cell_volume   107.02
_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  0.92  0.98  1.0
  Sn  Sn1  1  0.0  0.11  0.96  1.0
  Te  Te2  1  0.0  0.33  0.91  1.0
  Te  Te3  1  0.0  0.42  0.06  1.0

Tc Sn Te Te