data_Sc2TcRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   4.23
_cell_length_c   5.47
_cell_angle_alpha   90.0
_cell_angle_beta   96.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TcRu
_chemical_formula_sum   'Sc2 Tc1 Ru1'
_cell_volume   67.82
_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  0.25  0.12  0.07  1.0
  Sc  Sc2  1  0.04  0.12  0.37  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Ru  Ru0  1  0.14  0.0  0.72  1.0

data_Sc2TcRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.23
_cell_length_c   5.47
_cell_angle_alpha   90.0
_cell_angle_beta   96.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TcRu
_chemical_formula_sum   'Sc2 Tc1 Ru1'
_cell_volume   67.82
_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  0.04  0.12  0.37  1.0
  Sc  Sc1  1  0.25  0.12  0.07  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.14  0.0  0.72  1.0

Sc Sc Tc Ru
Sc Sc Tc Ru 0 2 o o o 0 1 o o o 0 3 o o - 1 2 o o o 1 3 o o o 2 3 o o - 