data_MgMoRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.72
_cell_length_b   2.72
_cell_length_c   9.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMoRu2
_chemical_formula_sum   'Mg1 Mo1 Ru2'
_cell_volume   61.93
_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  0.67  1.0
  Mo  Mo1  1  0.48  0.0  0.18  1.0
  Ru  Ru2  1  0.0  0.0  0.15  1.0
  Ru  Ru3  1  0.48  0.0  0.92  1.0

data_MgMoRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   2.72
_cell_length_c   9.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMoRu2
_chemical_formula_sum   'Mg1 Mo1 Ru2'
_cell_volume   61.93
_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  0.67  1.0
  Mo  Mo1  1  0.48  0.0  0.18  1.0
  Ru  Ru2  1  0.0  0.0  0.15  1.0
  Ru  Ru3  1  0.48  0.0  0.92  1.0

Mg Mo Ru Ru