data_ZrCoRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   4.66
_cell_angle_alpha   102.41
_cell_angle_beta   102.41
_cell_angle_gamma   35.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCoRu2
_chemical_formula_sum   'Zr1 Co1 Ru2'
_cell_volume   60.94
_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
  Zr  Zr3  1  0.07  0.0  0.35  1.0
  Co  Co0  1  0.58  0.0  0.48  1.0
  Ru  Ru1  1  0.12  0.0  0.07  1.0
  Ru  Ru2  1  0.57  0.0  0.91  1.0

data_ZrCoRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.66
_cell_length_c   4.81
_cell_angle_alpha   102.41
_cell_angle_beta   107.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCoRu2
_chemical_formula_sum   'Zr1 Co1 Ru2'
_cell_volume   60.94
_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
  Zr  Zr0  1  0.0  0.35  0.07  1.0
  Co  Co1  1  0.0  0.48  0.58  1.0
  Ru  Ru2  1  0.0  0.07  0.12  1.0
  Ru  Ru3  1  0.0  0.91  0.57  1.0

Zr Co Ru Ru
Zr Co Ru Ru 0 2 o o o 0 1 o o o 0 1 - o o 1 2 o o o 1 3 o o - 1 3 o o o 2 3 o o - 2 3 - o - 