data_ScTa2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.21
_cell_length_b   9.21
_cell_length_c   9.21
_cell_angle_alpha   19.05
_cell_angle_beta   19.05
_cell_angle_gamma   19.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTa2Ru
_chemical_formula_sum   'Sc1 Ta2 Ru1'
_cell_volume   72.66
_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  0.0  0.0  0.6  1.0
  Ta  Ta2  1  0.0  0.0  0.09  1.0
  Ta  Ta3  1  0.0  0.0  0.52  1.0
  Ru  Ru0  1  0.0  0.0  0.46  1.0

data_ScTa2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.28
_cell_length_b   3.05
_cell_length_c   9.21
_cell_angle_alpha   90.0
_cell_angle_beta   101.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScTa2Ru
_chemical_formula_sum   'Sc2 Ta4 Ru2'
_cell_volume   145.32
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.4  1.0
  Ta  Ta1  2  0.0  0.0  0.48  1.0
  Ta  Ta2  2  0.0  0.0  0.91  1.0
  Ru  Ru3  2  0.0  0.0  0.54  1.0

Sc Ta Ta Ru