data_Zr2ReSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   3.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2ReSn
_chemical_formula_sum   'Zr2 Re1 Sn1'
_cell_volume   79.69
_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  0.54  0.87  0.73  1.0
  Zr  Zr3  1  0.54  0.13  0.73  1.0
  Re  Re0  1  0.07  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.0  0.0  1.0

data_Zr2ReSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   4.84
_cell_length_c   4.84
_cell_angle_alpha   101.26
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2ReSn
_chemical_formula_sum   'Zr2 Re1 Sn1'
_cell_volume   79.69
_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  0.73  0.54  0.13  1.0
  Zr  Zr1  1  0.73  0.54  0.87  1.0
  Re  Re2  1  0.0  0.07  0.0  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0

Zr Zr Re Sn
Zr Zr Re Sn 0 1 o + o 2 3 o o o 