data_ScZnRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   2.82
_cell_angle_alpha   103.91
_cell_angle_beta   103.91
_cell_angle_gamma   113.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScZnRu2
_chemical_formula_sum   'Sc1 Zn1 Ru2'
_cell_volume   61.41
_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
  Zn  Zn3  1  0.82  0.0  0.0  1.0
  Ru  Ru0  1  0.79  0.85  0.27  1.0
  Ru  Ru1  1  0.79  0.15  0.27  1.0

data_ScZnRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   5.08
_cell_length_c   5.14
_cell_angle_alpha   118.36
_cell_angle_beta   103.91
_cell_angle_gamma   93.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScZnRu2
_chemical_formula_sum   'Sc1 Zn1 Ru2'
_cell_volume   61.41
_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
  Zn  Zn1  1  0.0  0.0  0.82  1.0
  Ru  Ru2  1  0.12  0.85  0.64  1.0
  Ru  Ru3  1  0.42  0.15  0.94  1.0

Sc Zn Ru Ru