data_NiBiRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   3.2
_cell_length_c   6.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiBiRu2
_chemical_formula_sum   'Ni1 Bi1 Ru2'
_cell_volume   69.28
_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
  Ni  Ni1  1  0.0  0.0  0.47  1.0
  Bi  Bi0  1  0.0  0.0  0.35  1.0
  Ru  Ru2  1  0.0  0.0  0.02  1.0
  Ru  Ru3  1  0.0  0.0  0.56  1.0

data_NiBiRu2
_symmetry_space_group_name_H-M   Cmm2
_cell_length_a   4.0
_cell_length_b   4.99
_cell_length_c   6.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   35
_chemical_formula_structural   NiBiRu2
_chemical_formula_sum   'Ni2 Bi2 Ru4'
_cell_volume   138.56
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  '-x+1/2, y+1/2, z'
  8  '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
  Ni  Ni0  2  0.0  0.0  0.53  1.0
  Bi  Bi1  2  0.0  0.0  0.65  1.0
  Ru  Ru2  2  0.0  0.0  0.44  1.0
  Ru  Ru3  2  0.0  0.0  0.98  1.0

Ni Bi Ru Ru