data_MgScRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.83
_cell_angle_alpha   115.7
_cell_angle_beta   115.7
_cell_angle_gamma   37.35
_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  0.62  0.0  0.15  1.0
  Ru  Ru1  1  0.65  0.0  0.24  1.0
  Ru  Ru2  1  0.58  0.0  0.06  1.0

data_MgScRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   4.83
_cell_length_c   4.99
_cell_angle_alpha   115.7
_cell_angle_beta   108.67
_cell_angle_gamma   90.0
_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  0.15  0.62  1.0
  Ru  Ru2  1  0.0  0.06  0.58  1.0
  Ru  Ru3  1  0.0  0.24  0.65  1.0

Mg Sc Ru Ru