data_MgScRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88
_cell_length_b   2.88
_cell_length_c   8.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgScRu2
_chemical_formula_sum   'Mg1 Sc1 Ru2'
_cell_volume   64.83
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Sc  Sc3  1  0.0  0.0  0.23  1.0
  Ru  Ru1  1  0.6  0.0  0.15  1.0
  Ru  Ru2  1  0.6  0.0  0.32  1.0

data_MgScRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   2.88
_cell_length_c   8.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgScRu2
_chemical_formula_sum   'Mg1 Sc1 Ru2'
_cell_volume   64.83
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Sc  Sc1  1  0.0  0.0  0.23  1.0
  Ru  Ru2  1  0.6  0.0  0.15  1.0
  Ru  Ru3  1  0.6  0.0  0.32  1.0

Mg Sc Ru Ru