data_Rb2NiRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84
_cell_length_b   5.84
_cell_length_c   5.84
_cell_angle_alpha   61.07
_cell_angle_beta   61.07
_cell_angle_gamma   61.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb2NiRu
_chemical_formula_sum   'Rb2 Ni1 Ru1'
_cell_volume   144.11
_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
  Rb  Rb1  1  0.0  0.0  0.64  1.0
  Rb  Rb2  1  0.0  0.0  0.55  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.0  0.09  1.0

data_Rb2NiRu
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   5.93
_cell_length_b   8.32
_cell_length_c   5.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   Rb2NiRu
_chemical_formula_sum   'Rb4 Ni2 Ru2'
_cell_volume   288.29
_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+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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
  Rb  Rb0  2  0.0  0.0  0.36  1.0
  Rb  Rb1  2  0.0  0.0  0.45  1.0
  Ni  Ni2  2  0.0  0.0  0.0  1.0
  Ru  Ru3  2  0.0  0.0  0.91  1.0

Rb Rb Ni Ru
Rb Rb Ni Ru 0 1 o o o 2 3 o o o 