data_TaV2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   145.21
_cell_angle_beta   130.11
_cell_angle_gamma   62.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaV2Ru
_chemical_formula_sum   'Ta1 V2 Ru1'
_cell_volume   59.11
_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  Ta1  1  0.0  0.0  0.41  1.0
  V  V2  1  0.54  0.0  0.17  1.0
  V  V3  1  0.0  0.17  0.24  1.0
  Ru  Ru0  1  0.0  0.0  0.0  1.0

data_TaV2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.35
_cell_length_c   5.15
_cell_angle_alpha   114.94
_cell_angle_beta   107.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaV2Ru
_chemical_formula_sum   'Ta1 V2 Ru1'
_cell_volume   59.11
_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  0.59  0.59  0.59  1.0
  V  V1  1  0.37  0.83  0.37  1.0
  V  V2  1  0.76  0.93  0.93  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

Ta V V Ru