data_Sc2GaTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45
_cell_length_b   4.29
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   107.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2GaTc
_chemical_formula_sum   'Sc2 Ga1 Tc1'
_cell_volume   76.05
_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  Sc1  1  0.58  0.15  0.76  1.0
  Sc  Sc2  1  0.03  0.0  0.67  1.0
  Ga  Ga0  1  0.31  0.0  0.93  1.0
  Tc  Tc3  1  0.32  0.15  0.5  1.0

data_Sc2GaTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   4.29
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   107.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2GaTc
_chemical_formula_sum   'Sc2 Ga1 Tc1'
_cell_volume   76.05
_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  0.03  0.0  0.67  1.0
  Sc  Sc1  1  0.58  0.15  0.76  1.0
  Ga  Ga2  1  0.31  0.0  0.93  1.0
  Tc  Tc3  1  0.32  0.15  0.5  1.0

Sc Sc Ga Tc