data_TiGaTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   2.75
_cell_angle_alpha   103.19
_cell_angle_beta   103.19
_cell_angle_gamma   114.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiGaTc2
_chemical_formula_sum   'Ti1 Ga1 Tc2'
_cell_volume   59.57
_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
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.78  0.0  0.0  1.0
  Tc  Tc1  1  0.81  0.86  0.25  1.0
  Tc  Tc2  1  0.81  0.14  0.25  1.0

data_TiGaTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   5.06
_cell_length_c   5.11
_cell_angle_alpha   118.23
_cell_angle_beta   103.19
_cell_angle_gamma   94.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiGaTc2
_chemical_formula_sum   'Ti1 Ga1 Tc2'
_cell_volume   59.57
_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
  Ti  Ti0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.0  0.0  0.78  1.0
  Tc  Tc2  1  0.11  0.86  0.67  1.0
  Tc  Tc3  1  0.39  0.14  0.96  1.0

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