data_Ta2TcRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   5.23
_cell_angle_alpha   101.29
_cell_angle_beta   101.29
_cell_angle_gamma   38.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TcRu
_chemical_formula_sum   'Ta2 Tc1 Ru1'
_cell_volume   66.08
_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  0.15  0.0  0.28  1.0
  Ta  Ta2  1  0.31  0.0  0.84  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Ru  Ru0  1  0.73  0.0  0.56  1.0

data_Ta2TcRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   4.53
_cell_length_c   5.23
_cell_angle_alpha   101.29
_cell_angle_beta   90.0
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TcRu
_chemical_formula_sum   'Ta2 Tc1 Ru1'
_cell_volume   66.08
_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  0.69  0.16  1.0
  Ta  Ta1  1  0.0  0.85  0.72  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.27  0.44  1.0

Ta Ta Tc Ru
Ta Ta Tc Ru 0 2 o o o 0 3 o o o 0 3 - o o 1 2 o o + 1 3 o o o 1 3 - o o 2 3 - o - 3 3 + - o 