data_MgMoRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   144.74
_cell_angle_beta   131.09
_cell_angle_gamma   61.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMoRu2
_chemical_formula_sum   'Mg1 Mo1 Ru2'
_cell_volume   60.11
_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  0.44  1.0
  Mo  Mo1  1  0.0  0.15  0.32  1.0
  Ru  Ru2  1  0.0  0.0  0.85  1.0
  Ru  Ru3  1  0.57  0.0  0.21  1.0

data_MgMoRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   4.3
_cell_length_c   5.19
_cell_angle_alpha   114.45
_cell_angle_beta   107.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMoRu2
_chemical_formula_sum   'Mg1 Mo1 Ru2'
_cell_volume   60.11
_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  0.44  0.44  1.0
  Mo  Mo1  1  0.85  0.17  0.17  1.0
  Ru  Ru2  1  0.0  0.21  0.64  1.0
  Ru  Ru3  1  0.0  0.85  0.85  1.0

Mg Mo Ru Ru