data_MgOs2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   4.66
_cell_angle_alpha   100.03
_cell_angle_beta   100.03
_cell_angle_gamma   33.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgOs2Ru
_chemical_formula_sum   'Mg1 Os2 Ru1'
_cell_volume   59.1
_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
  Os  Os1  1  0.58  0.0  0.41  1.0
  Os  Os2  1  0.89  0.0  0.18  1.0
  Ru  Ru3  1  0.23  0.0  0.29  1.0

data_MgOs2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   4.66
_cell_length_c   4.86
_cell_angle_alpha   100.03
_cell_angle_beta   106.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgOs2Ru
_chemical_formula_sum   'Mg1 Os2 Ru1'
_cell_volume   59.1
_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
  Os  Os1  1  0.0  0.18  0.89  1.0
  Ru  Ru2  1  0.0  0.29  0.23  1.0
  Os  Os3  1  0.0  0.41  0.58  1.0

Mg Os Os Ru
Mg Os Os Ru 0 2 - o o 0 3 o o o 1 3 o o o 1 2 o o o 2 3 + o o 