data_TaVRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.05
_cell_angle_alpha   144.39
_cell_angle_beta   126.56
_cell_angle_gamma   65.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaVRu2
_chemical_formula_sum   'Ta1 V1 Ru2'
_cell_volume   59.42
_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
  Ta  Ta2  1  0.0  0.0  0.24  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Ru  Ru0  1  0.54  0.0  0.99  1.0
  Ru  Ru1  1  0.0  0.27  0.25  1.0

data_TaVRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.54
_cell_length_c   5.05
_cell_angle_alpha   116.72
_cell_angle_beta   107.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaVRu2
_chemical_formula_sum   'Ta1 V1 Ru2'
_cell_volume   59.42
_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
  Ta  Ta0  1  0.0  0.24  0.24  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.0  0.99  0.44  1.0
  Ru  Ru3  1  0.73  0.98  0.98  1.0

Ta V Ru Ru