data_MgSb2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   3.43
_cell_angle_alpha   90.87
_cell_angle_beta   90.87
_cell_angle_gamma   102.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSb2Ru
_chemical_formula_sum   'Mg1 Sb2 Ru1'
_cell_volume   80.5
_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
  Sb  Sb2  1  0.49  0.92  0.71  1.0
  Sb  Sb3  1  0.49  0.08  0.71  1.0
  Ru  Ru1  1  0.06  0.0  0.0  1.0

data_MgSb2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   4.91
_cell_length_c   4.91
_cell_angle_alpha   102.98
_cell_angle_beta   90.87
_cell_angle_gamma   90.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSb2Ru
_chemical_formula_sum   'Mg1 Sb2 Ru1'
_cell_volume   80.5
_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
  Sb  Sb1  1  0.71  0.49  0.08  1.0
  Sb  Sb2  1  0.71  0.49  0.92  1.0
  Ru  Ru3  1  -0.0  0.06  0.0  1.0

Mg Sb Sb Ru