[CIF]
data_ZrRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21805041
_cell_length_b   5.21805041
_cell_length_c   4.51162716
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   143.80212278
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrRu
_chemical_formula_sum   'Zr2 Ru2'
_cell_volume   72.54798714
_cell_formula_units_Z   2
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
  Ru  Ru0  1  1.62103339  -0.90561009  3.38372037  1
  Ru  Ru1  1  1.62103339  0.90561009  1.12790679  1
  Zr  Zr2  1  1.62103339  -3.53195835  3.38372037  1
  Zr  Zr3  1  1.62103339  3.53195835  1.12790679  1
[/CIF]
