data_ZrRe2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   4.93
_cell_angle_alpha   100.9
_cell_angle_beta   100.9
_cell_angle_gamma   34.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrRe2Ru
_chemical_formula_sum   'Zr1 Re2 Ru1'
_cell_volume   65.77
_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  0.57  0.0  0.48  1.0
  Re  Re0  1  0.09  0.0  0.26  1.0
  Re  Re1  1  0.85  0.0  0.07  1.0
  Ru  Ru2  1  0.05  0.0  0.44  1.0

data_ZrRe2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.9
_cell_length_c   4.93
_cell_angle_alpha   100.9
_cell_angle_beta   90.0
_cell_angle_gamma   107.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrRe2Ru
_chemical_formula_sum   'Zr1 Re2 Ru1'
_cell_volume   65.77
_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  0.43  0.52  1.0
  Re  Re1  1  0.0  0.15  0.93  1.0
  Re  Re2  1  0.0  0.91  0.74  1.0
  Ru  Ru3  1  0.0  0.95  0.56  1.0

Zr Re Re Ru