data_ZnReNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.7
_cell_length_b   4.27
_cell_length_c   4.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnReNi2
_chemical_formula_sum   'Zn1 Re1 Ni2'
_cell_volume   50.93
_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
  Zn  Zn3  1  0.35  0.14  0.0  1.0
  Re  Re2  1  0.0  0.14  0.21  1.0
  Ni  Ni0  1  0.35  0.0  0.21  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0

data_ZnReNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   4.27
_cell_length_c   4.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnReNi2
_chemical_formula_sum   'Zn1 Re1 Ni2'
_cell_volume   50.93
_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
  Zn  Zn0  1  0.35  0.14  0.0  1.0
  Re  Re1  1  0.0  0.14  0.21  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Ni  Ni3  1  0.35  0.0  0.21  1.0

Zn Re Ni Ni
Zn Re Ni Ni 0 3 o o o 0 2 o o o 1 3 o o o 1 2 o o o 