data_MnVRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   4.5
_cell_angle_alpha   100.37
_cell_angle_beta   100.37
_cell_angle_gamma   33.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnVRu2
_chemical_formula_sum   'Mn1 V1 Ru2'
_cell_volume   53.65
_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  0.62  0.0  0.33  1.0
  V  V3  1  0.04  0.0  0.22  1.0
  Ru  Ru1  1  0.16  0.0  0.42  1.0
  Ru  Ru2  1  0.48  0.0  0.09  1.0

data_MnVRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   4.5
_cell_length_c   4.67
_cell_angle_alpha   100.37
_cell_angle_beta   106.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnVRu2
_chemical_formula_sum   'Mn1 V1 Ru2'
_cell_volume   53.65
_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  0.33  0.62  1.0
  V  V1  1  0.0  0.22  0.04  1.0
  Ru  Ru2  1  0.0  0.09  0.48  1.0
  Ru  Ru3  1  0.0  0.42  0.16  1.0

Mn V Ru Ru