data_Sr2ZnRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   8.18
_cell_angle_alpha   94.84
_cell_angle_beta   94.84
_cell_angle_gamma   37.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2ZnRe
_chemical_formula_sum   'Sr2 Zn1 Re1'
_cell_volume   109.83
_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
  Sr  Sr1  1  0.66  0.0  0.94  1.0
  Sr  Sr2  1  0.49  0.0  0.21  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Re  Re0  1  0.08  0.0  0.07  1.0

data_Sr2ZnRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   4.69
_cell_length_c   8.18
_cell_angle_alpha   94.84
_cell_angle_beta   90.0
_cell_angle_gamma   108.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2ZnRe
_chemical_formula_sum   'Sr2 Zn1 Re1'
_cell_volume   109.83
_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
  Sr  Sr0  1  0.0  0.34  0.06  1.0
  Sr  Sr1  1  0.0  0.51  0.79  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.0  0.92  0.93  1.0

Sr Sr Zn Re
Sr Sr Zn Re 0 2 + o + 0 1 o o + 1 3 o o o 2 3 o o o 