data_ZrZnRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   4.62
_cell_angle_alpha   123.74
_cell_angle_beta   123.74
_cell_angle_gamma   83.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrZnRe2
_chemical_formula_sum   'Zr1 Zn1 Re2'
_cell_volume   65.47
_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  0.18  0.0  0.72  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Re  Re0  1  0.0  0.0  0.45  1.0
  Re  Re1  1  0.0  0.18  0.72  1.0

data_ZrZnRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.36
_cell_length_b   4.36
_cell_length_c   4.62
_cell_angle_alpha   118.13
_cell_angle_beta   118.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrZnRe2
_chemical_formula_sum   'Zr1 Zn1 Re2'
_cell_volume   65.47
_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  0.72  0.54  0.54  1.0
  Zn  Zn1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.45  0.45  0.45  1.0
  Re  Re3  1  0.54  0.72  0.54  1.0

Zr Zn Re Re