data_ZnCrRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   146.78
_cell_angle_beta   126.75
_cell_angle_gamma   64.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCrRu2
_chemical_formula_sum   'Zn1 Cr1 Ru2'
_cell_volume   54.77
_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  Zn3  1  0.0  0.0  0.25  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.0  0.25  0.31  1.0
  Ru  Ru2  1  0.43  0.0  0.94  1.0

data_ZnCrRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.5
_cell_length_c   5.02
_cell_angle_alpha   116.63
_cell_angle_beta   106.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCrRu2
_chemical_formula_sum   'Zn1 Cr1 Ru2'
_cell_volume   54.77
_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  0.75  0.75  0.75  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.49  0.06  0.49  1.0
  Ru  Ru3  1  0.69  0.94  0.94  1.0

Zn Cr Ru Ru