data_Sc2TcGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.48
_cell_length_b   4.26
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   106.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TcGe
_chemical_formula_sum   'Sc2 Tc1 Ge1'
_cell_volume   75.27
_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  0.61  0.13  0.68  1.0
  Sc  Sc2  1  0.09  0.0  0.68  1.0
  Tc  Tc3  1  0.37  0.13  0.43  1.0
  Ge  Ge0  1  0.36  0.0  0.88  1.0

data_Sc2TcGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   4.26
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   106.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TcGe
_chemical_formula_sum   'Sc2 Tc1 Ge1'
_cell_volume   75.27
_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  0.09  0.0  0.68  1.0
  Sc  Sc1  1  0.61  0.13  0.68  1.0
  Tc  Tc2  1  0.37  0.13  0.43  1.0
  Ge  Ge3  1  0.36  0.0  0.88  1.0

Sc Sc Tc Ge