data_TcNiRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.67
_cell_length_b   6.5
_cell_length_c   2.6
_cell_angle_alpha   82.27
_cell_angle_beta   74.99
_cell_angle_gamma   22.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcNiRu
_chemical_formula_sum   'Tc1 Ni1 Ru1'
_cell_volume   40.49
_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
  Tc  Tc2  1  0.51  0.12  0.26  1.0
  Ni  Ni0  1  0.51  0.12  0.63  1.0
  Ru  Ru1  1  0.51  0.12  0.41  1.0

data_TcNiRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.02
_cell_length_b   12.65
_cell_length_c   2.6
_cell_angle_alpha   90.0
_cell_angle_beta   125.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TcNiRu
_chemical_formula_sum   'Tc2 Ni2 Ru2'
_cell_volume   80.97
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Tc  Tc0  2  0.11  0.0  0.23  1.0
  Ni  Ni1  2  0.24  0.5  0.86  1.0
  Ru  Ru2  2  0.46  0.5  0.08  1.0

Tc Ni Ru
Tc Ni Ru 0 2 o o o 1 2 o o o 