data_Zr3Re5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   4.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Re5
_chemical_formula_sum   'Zr3 Re5'
_cell_volume   137.2
_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  Zr5  1  0.0  0.0  0.0  1.0
  Zr  Zr6  1  0.26  0.3  0.29  1.0
  Zr  Zr7  1  0.26  0.7  0.29  1.0
  Re  Re0  1  0.26  0.0  0.0  1.0
  Re  Re1  1  0.63  0.3  0.0  1.0
  Re  Re2  1  0.63  0.7  0.0  1.0
  Re  Re3  1  0.7  0.0  0.29  1.0
  Re  Re4  1  0.82  0.0  0.29  1.0

data_Zr3Re5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.57
_cell_length_b   5.64
_cell_length_c   5.64
_cell_angle_alpha   109.34
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Re5
_chemical_formula_sum   'Zr3 Re5'
_cell_volume   137.2
_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  0.0  0.0  1.0
  Zr  Zr1  1  0.29  0.26  0.3  1.0
  Zr  Zr2  1  0.29  0.26  0.7  1.0
  Re  Re3  1  -0.0  0.63  0.3  1.0
  Re  Re4  1  -0.0  0.63  0.7  1.0
  Re  Re5  1  0.0  0.26  0.0  1.0
  Re  Re6  1  0.29  0.7  0.0  1.0
  Re  Re7  1  0.29  0.82  0.0  1.0

Zr Zr Zr Re Re Re Re Re
Zr Zr Zr Re Re Re Re Re 0 7 - o o 0 3 o o o 0 1 o o o 0 5 - - o 1 7 - o o 1 2 o o o 1 3 o o o 1 4 o o o 2 3 o + o 2 5 o o o 2 6 o + o 3 4 o o o 4 5 o o o 4 7 o o o 4 6 o o o 5 6 o + o 5 7 o + o 6 7 o o o 