data_ScGa2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   140.3
_cell_angle_beta   127.8
_cell_angle_gamma   67.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScGa2Tc
_chemical_formula_sum   'Sc1 Ga2 Tc1'
_cell_volume   65.54
_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
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.73  0.0  0.21  1.0
  Ga  Ga1  1  0.0  0.24  0.02  1.0
  Tc  Tc3  1  0.0  0.0  0.23  1.0

data_ScGa2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   4.48
_cell_length_c   5.09
_cell_angle_alpha   116.1
_cell_angle_beta   109.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScGa2Tc
_chemical_formula_sum   'Sc1 Ga2 Tc1'
_cell_volume   65.54
_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
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.52  0.79  0.52  1.0
  Ga  Ga2  1  0.98  0.22  0.22  1.0
  Tc  Tc3  1  0.77  0.77  0.77  1.0

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