data_Zn2CrRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   4.66
_cell_angle_alpha   98.58
_cell_angle_beta   98.58
_cell_angle_gamma   35.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2CrRu
_chemical_formula_sum   'Zn2 Cr1 Ru1'
_cell_volume   53.81
_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  0.29  0.0  0.52  1.0
  Zn  Zn3  1  0.56  0.0  0.53  1.0
  Cr  Cr0  1  0.91  0.0  0.17  1.0
  Ru  Ru1  1  0.2  0.0  0.29  1.0

data_Zn2CrRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.48
_cell_length_c   4.66
_cell_angle_alpha   98.58
_cell_angle_beta   90.0
_cell_angle_gamma   107.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2CrRu
_chemical_formula_sum   'Zn2 Cr1 Ru1'
_cell_volume   53.81
_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  0.0  0.44  0.47  1.0
  Zn  Zn1  1  0.0  0.71  0.48  1.0
  Cr  Cr2  1  0.0  0.09  0.83  1.0
  Ru  Ru3  1  0.0  0.8  0.71  1.0

Zn Zn Cr Ru