data_Tc2NiRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.83
_cell_length_b   8.83
_cell_length_c   8.83
_cell_angle_alpha   17.53
_cell_angle_beta   17.53
_cell_angle_gamma   17.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2NiRu
_chemical_formula_sum   'Tc2 Ni1 Ru1'
_cell_volume   54.57
_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  0.0  0.0  0.03  1.0
  Tc  Tc3  1  0.0  0.0  0.45  1.0
  Ni  Ni0  1  0.0  0.0  0.04  1.0
  Ru  Ru1  1  0.0  0.0  0.61  1.0

data_Tc2NiRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.66
_cell_length_b   2.69
_cell_length_c   8.83
_cell_angle_alpha   90.0
_cell_angle_beta   100.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tc2NiRu
_chemical_formula_sum   'Tc4 Ni2 Ru2'
_cell_volume   109.14
_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  0.0  0.0  0.55  1.0
  Tc  Tc1  2  0.0  0.0  0.97  1.0
  Ni  Ni2  2  0.0  0.0  0.96  1.0
  Ru  Ru3  2  0.0  0.0  0.39  1.0

Tc Tc Ni Ru