data_Ta2VRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   5.34
_cell_angle_alpha   138.99
_cell_angle_beta   138.99
_cell_angle_gamma   59.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2VRu
_chemical_formula_sum   'Ta2 V1 Ru1'
_cell_volume   64.84
_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  0.64  1.0
  Ta  Ta2  1  0.0  0.87  0.32  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Ru  Ru0  1  0.87  0.0  0.32  1.0

data_Ta2VRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.74
_cell_length_b   3.74
_cell_length_c   5.34
_cell_angle_alpha   110.51
_cell_angle_beta   110.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2VRu
_chemical_formula_sum   'Ta2 V1 Ru1'
_cell_volume   64.84
_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  0.36  0.0  0.36  1.0
  Ta  Ta1  1  0.55  0.87  0.55  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.68  0.0  0.55  1.0

Ta Ta V Ru