data_ZnCuRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.66
_cell_length_b   4.27
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   99.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCuRe2
_chemical_formula_sum   'Zn1 Cu1 Re2'
_cell_volume   57.12
_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  0.57  0.13  0.61  1.0
  Cu  Cu0  1  0.34  0.0  0.7  1.0
  Re  Re1  1  0.6  0.13  0.04  1.0
  Re  Re2  1  0.82  0.0  0.21  1.0

data_ZnCuRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   4.27
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   99.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCuRe2
_chemical_formula_sum   'Zn1 Cu1 Re2'
_cell_volume   57.12
_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  0.57  0.13  0.61  1.0
  Cu  Cu1  1  0.34  0.0  0.7  1.0
  Re  Re2  1  0.6  0.13  0.04  1.0
  Re  Re3  1  0.82  0.0  0.21  1.0

Zn Cu Re Re