data_ScTcRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   2.8
_cell_angle_alpha   101.18
_cell_angle_beta   101.18
_cell_angle_gamma   114.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTcRu2
_chemical_formula_sum   'Sc1 Tc1 Ru2'
_cell_volume   61.27
_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  Sc2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.74  0.0  0.0  1.0
  Ru  Ru0  1  0.87  0.86  0.31  1.0
  Ru  Ru1  1  0.87  0.14  0.31  1.0

data_ScTcRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   114.67
_cell_angle_beta   101.18
_cell_angle_gamma   101.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTcRu2
_chemical_formula_sum   'Sc1 Tc1 Ru2'
_cell_volume   61.27
_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  0.0  0.0  0.0  1.0
  Tc  Tc1  1  -0.0  0.74  0.0  1.0
  Ru  Ru2  1  0.31  0.87  0.86  1.0
  Ru  Ru3  1  0.31  0.87  0.14  1.0

Sc Tc Ru Ru