data_VCuRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   4.39
_cell_angle_alpha   101.68
_cell_angle_beta   101.68
_cell_angle_gamma   34.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCuRu2
_chemical_formula_sum   'V1 Cu1 Ru2'
_cell_volume   53.7
_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
  V  V3  1  0.03  0.0  0.14  1.0
  Cu  Cu0  1  0.56  0.0  0.21  1.0
  Ru  Ru1  1  0.01  0.0  0.03  1.0
  Ru  Ru2  1  0.5  0.0  0.06  1.0

data_VCuRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   4.39
_cell_length_c   4.71
_cell_angle_alpha   101.68
_cell_angle_beta   107.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCuRu2
_chemical_formula_sum   'V1 Cu1 Ru2'
_cell_volume   53.7
_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
  V  V0  1  0.0  0.14  0.03  1.0
  Cu  Cu1  1  0.0  0.21  0.56  1.0
  Ru  Ru2  1  0.0  0.03  0.01  1.0
  Ru  Ru3  1  0.0  0.06  0.5  1.0

V Cu Ru Ru