data_Zn2CrRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.69
_cell_length_b   4.33
_cell_length_c   4.89
_cell_angle_alpha   90.0
_cell_angle_beta   100.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2CrRu
_chemical_formula_sum   'Zn2 Cr1 Ru1'
_cell_volume   56.01
_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  0.02  0.17  0.6  1.0
  Zn  Zn3  1  0.77  0.17  0.21  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.89  0.0  0.4  1.0

data_Zn2CrRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   4.33
_cell_length_c   4.89
_cell_angle_alpha   90.0
_cell_angle_beta   100.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2CrRu
_chemical_formula_sum   'Zn2 Cr1 Ru1'
_cell_volume   56.01
_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  Zn0  1  0.02  0.17  0.6  1.0
  Zn  Zn1  1  0.77  0.17  0.21  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.89  0.0  0.4  1.0

Zn Zn Cr Ru
Zn Zn Cr Ru 0 3 - o o 1 3 o o o 1 2 + o o 