data_MnSnRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   3.77
_cell_length_c   5.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSnRu2
_chemical_formula_sum   'Mn1 Sn1 Ru2'
_cell_volume   59.73
_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
  Mn  Mn0  1  0.0  0.0  0.41  1.0
  Sn  Sn3  1  0.42  0.88  0.77  1.0
  Ru  Ru1  1  0.42  0.88  0.45  1.0
  Ru  Ru2  1  0.0  0.0  0.33  1.0

data_MnSnRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   3.77
_cell_length_c   5.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSnRu2
_chemical_formula_sum   'Mn1 Sn1 Ru2'
_cell_volume   59.73
_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
  Mn  Mn0  1  0.0  0.0  0.41  1.0
  Sn  Sn1  1  0.42  0.88  0.77  1.0
  Ru  Ru2  1  0.0  0.0  0.33  1.0
  Ru  Ru3  1  0.42  0.88  0.45  1.0

Mn Sn Ru Ru
Mn Sn Ru Ru 0 3 o o o 0 2 o - o 1 2 o o o 2 3 o + o 