data_ZrInRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   2.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrInRe
_chemical_formula_sum   'Zr1 In1 Re1'
_cell_volume   57.19
_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  Zr2  1  0.0  0.0  0.8  1.0
  In  In0  1  1.0  0.75  0.12  1.0
  Re  Re1  1  0.38  0.37  1.0  1.0

data_ZrInRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.76
_cell_length_c   4.76
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrInRe
_chemical_formula_sum   'Zr1 In1 Re1'
_cell_volume   57.19
_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  0.8  0.0  0.0  1.0
  In  In1  1  0.12  1.0  0.75  1.0
  Re  Re2  1  1.0  0.38  0.37  1.0

Zr In Re
Zr In Re 0 1 - - + 0 2 o o o 