data_SrMgRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03
_cell_length_b   6.03
_cell_length_c   6.03
_cell_angle_alpha   145.54
_cell_angle_beta   145.54
_cell_angle_gamma   49.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMgRu
_chemical_formula_sum   'Sr1 Mg1 Ru1'
_cell_volume   69.92
_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
  Sr  Sr2  1  0.0  0.0  0.42  1.0
  Mg  Mg0  1  0.0  0.0  0.44  1.0
  Ru  Ru1  1  0.0  0.0  0.05  1.0

data_SrMgRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   6.03
_cell_angle_alpha   90.0
_cell_angle_beta   114.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrMgRu
_chemical_formula_sum   'Sr2 Mg2 Ru2'
_cell_volume   139.84
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Sr  Sr0  2  0.0  0.0  0.58  1.0
  Mg  Mg1  2  0.0  0.0  0.56  1.0
  Ru  Ru2  2  0.0  0.0  0.95  1.0

Sr Mg Ru