data_Zn2CoRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.64
_cell_length_b   2.64
_cell_length_c   8.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2CoRu
_chemical_formula_sum   'Zn2 Co1 Ru1'
_cell_volume   54.45
_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  0.04  1.0
  Zn  Zn3  1  0.4  0.0  0.41  1.0
  Co  Co0  1  0.0  0.0  0.32  1.0
  Ru  Ru1  1  0.4  0.0  0.26  1.0

data_Zn2CoRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.64
_cell_length_b   2.64
_cell_length_c   8.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2CoRu
_chemical_formula_sum   'Zn2 Co1 Ru1'
_cell_volume   54.45
_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  0.0  0.04  1.0
  Zn  Zn1  1  0.4  0.0  0.41  1.0
  Co  Co2  1  0.0  0.0  0.32  1.0
  Ru  Ru3  1  0.4  0.0  0.26  1.0

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