data_Zr2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.51
_cell_length_b   7.27
_cell_length_c   3.02
_cell_angle_alpha   82.72
_cell_angle_beta   73.79
_cell_angle_gamma   23.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Re
_chemical_formula_sum   'Zr2 Re1'
_cell_volume   59.3
_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  0.67  0.51  0.92  1.0
  Zr  Zr2  1  0.67  0.51  0.22  1.0
  Re  Re0  1  0.0  0.0  0.0  1.0

data_Zr2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   3.02
_cell_length_c   7.27
_cell_angle_alpha   97.28
_cell_angle_beta   97.28
_cell_angle_gamma   112.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Re
_chemical_formula_sum   'Zr2 Re1'
_cell_volume   59.3
_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  0.51  0.1  0.18  1.0
  Zr  Zr1  1  0.51  0.4  0.18  1.0
  Re  Re2  1  0.0  0.0  0.0  1.0

Zr Zr Re