data_ZnBiRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.21
_cell_length_b   6.21
_cell_length_c   6.21
_cell_angle_alpha   149.72
_cell_angle_beta   149.72
_cell_angle_gamma   43.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnBiRu
_chemical_formula_sum   'Zn1 Bi1 Ru1'
_cell_volume   60.58
_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
  Zn  Zn2  1  0.0  0.0  0.15  1.0
  Bi  Bi0  1  0.0  0.0  0.2  1.0
  Ru  Ru1  1  0.0  0.0  0.71  1.0

data_ZnBiRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   6.21
_cell_angle_alpha   90.0
_cell_angle_beta   111.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnBiRu
_chemical_formula_sum   'Zn2 Bi2 Ru2'
_cell_volume   121.17
_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
  Zn  Zn0  2  0.15  0.0  0.15  1.0
  Bi  Bi1  2  0.2  0.0  0.2  1.0
  Ru  Ru2  2  0.21  0.5  0.71  1.0

Zn Bi Ru
Zn Bi Ru 0 1 o o o 0 2 + o o 0 2 o + o 0 2 o o o 0 2 o o - 1 2 o o o 1 2 o o - 2 2 + o + 2 2 o + + 