data_MgNbRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   4.43
_cell_angle_alpha   111.21
_cell_angle_beta   111.21
_cell_angle_gamma   34.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNbRu2
_chemical_formula_sum   'Mg1 Nb1 Ru2'
_cell_volume   62.83
_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  0.11  0.0  0.2  1.0
  Nb  Nb1  1  0.91  0.0  0.85  1.0
  Ru  Ru2  1  0.8  0.0  0.14  1.0
  Ru  Ru3  1  0.34  0.0  0.96  1.0

data_MgNbRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.43
_cell_length_c   5.17
_cell_angle_alpha   111.21
_cell_angle_beta   107.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNbRu2
_chemical_formula_sum   'Mg1 Nb1 Ru2'
_cell_volume   62.83
_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  0.2  0.11  1.0
  Nb  Nb1  1  0.0  0.85  0.91  1.0
  Ru  Ru2  1  0.0  0.14  0.8  1.0
  Ru  Ru3  1  0.0  0.96  0.34  1.0

Mg Nb Ru Ru