data_Tc2AgTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   3.07
_cell_angle_alpha   102.45
_cell_angle_beta   102.45
_cell_angle_gamma   116.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2AgTe
_chemical_formula_sum   'Tc2 Ag1 Te1'
_cell_volume   69.89
_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  0.75  0.26  0.4  1.0
  Tc  Tc2  1  0.75  0.74  0.4  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.77  0.0  0.0  1.0

data_Tc2AgTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   5.1
_cell_length_c   5.29
_cell_angle_alpha   115.92
_cell_angle_beta   102.45
_cell_angle_gamma   98.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2AgTe
_chemical_formula_sum   'Tc2 Ag1 Te1'
_cell_volume   69.89
_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  0.14  0.74  0.49  1.0
  Tc  Tc1  1  0.66  0.26  0.01  1.0
  Ag  Ag2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  -0.0  0.0  0.77  1.0

Tc Tc Ag Te
Tc Tc Ag Te 0 3 o o o 1 3 o + o 1 3 o + + 1 2 + + o 1 2 + + + 2 3 - o o 