data_Zr4Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.62
_cell_length_b   8.62
_cell_length_c   8.62
_cell_angle_alpha   155.09
_cell_angle_beta   155.09
_cell_angle_gamma   35.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr4Ru
_chemical_formula_sum   'Zr4 Ru1'
_cell_volume   113.54
_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  Zr1  1  0.86  0.0  0.11  1.0
  Zr  Zr2  1  0.0  0.0  0.84  1.0
  Zr  Zr3  1  0.0  0.0  0.58  1.0
  Zr  Zr4  1  0.0  0.86  0.11  1.0
  Ru  Ru0  1  0.0  0.0  0.0  1.0

data_Zr4Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   8.62
_cell_angle_alpha   90.0
_cell_angle_beta   107.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zr4Ru
_chemical_formula_sum   'Zr8 Ru2'
_cell_volume   227.07
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.18  0.07  0.25  1.0
  Zr  Zr1  2  0.08  0.5  0.58  1.0
  Zr  Zr2  2  0.34  0.5  0.84  1.0
  Ru  Ru3  2  0.0  0.0  0.0  1.0

Zr Zr Zr Zr Ru