data_ScMnRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62
_cell_length_b   5.59
_cell_length_c   2.99
_cell_angle_alpha   75.01
_cell_angle_beta   74.05
_cell_angle_gamma   30.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScMnRu
_chemical_formula_sum   'Sc1 Mn1 Ru1'
_cell_volume   46.37
_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  0.08  0.15  0.47  1.0
  Mn  Mn0  1  0.08  0.15  0.19  1.0
  Ru  Ru1  1  0.08  0.15  0.72  1.0

data_ScMnRu
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   2.99
_cell_length_b   10.38
_cell_length_c   2.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   ScMnRu
_chemical_formula_sum   'Sc2 Mn2 Ru2'
_cell_volume   92.8
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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  0.5  0.62  1.0
  Mn  Mn1  2  0.0  0.5  0.34  1.0
  Ru  Ru2  2  0.0  0.5  0.87  1.0

Sc Mn Ru
Sc Mn Ru 0 1 o o o 0 2 o o o 