data_GaTc2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   3.08
_cell_angle_alpha   105.94
_cell_angle_beta   105.94
_cell_angle_gamma   107.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaTc2Te
_chemical_formula_sum   'Ga1 Tc2 Te1'
_cell_volume   68.97
_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
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.8  0.09  0.36  1.0
  Tc  Tc2  1  0.8  0.91  0.36  1.0
  Te  Te3  1  0.04  0.0  0.0  1.0

data_GaTc2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   107.89
_cell_angle_beta   105.94
_cell_angle_gamma   105.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaTc2Te
_chemical_formula_sum   'Ga1 Tc2 Te1'
_cell_volume   68.97
_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
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.36  0.8  0.09  1.0
  Tc  Tc2  1  0.36  0.8  0.91  1.0
  Te  Te3  1  0.0  0.04  0.0  1.0

Ga Tc Tc Te
Ga Tc Tc Te 0 3 o o o 1 2 o - o 