data_SrGa2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   5.53
_cell_angle_alpha   135.05
_cell_angle_beta   135.05
_cell_angle_gamma   65.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrGa2Tc
_chemical_formula_sum   'Sr1 Ga2 Tc1'
_cell_volume   83.31
_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
  Sr  Sr2  1  0.0  0.0  0.65  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.12  0.0  0.33  1.0
  Tc  Tc3  1  0.0  0.12  0.33  1.0

data_SrGa2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.23
_cell_length_b   4.23
_cell_length_c   5.53
_cell_angle_alpha   112.48
_cell_angle_beta   112.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrGa2Tc
_chemical_formula_sum   'Sr1 Ga2 Tc1'
_cell_volume   83.31
_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
  Sr  Sr0  1  0.65  0.65  0.65  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Ga  Ga2  1  0.33  0.21  0.21  1.0
  Tc  Tc3  1  0.21  0.33  0.21  1.0

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