data_MgVRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.74
_cell_length_b   4.25
_cell_length_c   5.13
_cell_angle_alpha   90.0
_cell_angle_beta   105.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgVRu2
_chemical_formula_sum   'Mg1 V1 Ru2'
_cell_volume   57.6
_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  0.3  0.0  0.72  1.0
  V  V3  1  0.93  0.12  0.44  1.0
  Ru  Ru1  1  0.65  0.12  0.91  1.0
  Ru  Ru2  1  0.19  0.0  0.29  1.0

data_MgVRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.25
_cell_length_c   5.13
_cell_angle_alpha   90.0
_cell_angle_beta   105.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgVRu2
_chemical_formula_sum   'Mg1 V1 Ru2'
_cell_volume   57.6
_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  0.3  0.0  0.72  1.0
  V  V1  1  0.93  0.12  0.44  1.0
  Ru  Ru2  1  0.19  0.0  0.29  1.0
  Ru  Ru3  1  0.65  0.12  0.91  1.0

Mg V Ru Ru