data_ZnCrRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.63
_cell_length_b   4.2
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   102.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCrRe2
_chemical_formula_sum   'Zn1 Cr1 Re2'
_cell_volume   56.12
_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  0.77  0.0  0.54  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.79  0.1  0.26  1.0
  Re  Re2  1  0.74  0.1  0.81  1.0

data_ZnCrRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.63
_cell_length_b   4.2
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   102.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCrRe2
_chemical_formula_sum   'Zn1 Cr1 Re2'
_cell_volume   56.12
_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  0.77  0.0  0.54  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.74  0.1  0.81  1.0
  Re  Re3  1  0.79  0.1  0.26  1.0

Zn Cr Re Re
Zn Cr Re Re 0 3 o o o 0 2 o o o 1 3 - o - 1 2 - o o 