data_GaTcSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   42.53
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaTcSb2
_chemical_formula_sum   'Ga1 Tc1 Sb2'
_cell_volume   81.65
_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  0.39  1.0
  Tc  Tc3  1  0.21  0.0  1.0  1.0
  Sb  Sb1  1  0.21  0.0  0.17  1.0
  Sb  Sb2  1  0.0  0.0  0.08  1.0

data_GaTcSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.79
_cell_length_b   4.41
_cell_length_c   5.23
_cell_angle_alpha   90.0
_cell_angle_beta   111.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaTcSb2
_chemical_formula_sum   'Ga1 Tc1 Sb2'
_cell_volume   81.65
_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  0.61  0.0  0.61  1.0
  Tc  Tc1  1  0.0  0.21  0.0  1.0
  Sb  Sb2  1  0.83  0.21  0.83  1.0
  Sb  Sb3  1  0.92  0.0  0.92  1.0

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