data_MnVRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.65
_cell_length_b   3.93
_cell_length_c   5.17
_cell_angle_alpha   90.0
_cell_angle_beta   100.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnVRu2
_chemical_formula_sum   'Mn1 V1 Ru2'
_cell_volume   52.85
_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  0.52  0.0  0.54  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.87  0.97  0.8  1.0
  Ru  Ru2  1  0.82  0.97  0.28  1.0

data_MnVRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.65
_cell_length_b   3.93
_cell_length_c   5.17
_cell_angle_alpha   90.0
_cell_angle_beta   100.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnVRu2
_chemical_formula_sum   'Mn1 V1 Ru2'
_cell_volume   52.85
_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  0.52  0.0  0.54  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.82  0.97  0.28  1.0
  Ru  Ru3  1  0.87  0.97  0.8  1.0

Mn V Ru Ru
Mn V Ru Ru 0 3 o - o 0 2 o - o 1 2 - - - 1 3 - - o 