data_SrZnRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.08
_cell_length_b   10.08
_cell_length_c   10.08
_cell_angle_alpha   16.61
_cell_angle_beta   16.61
_cell_angle_gamma   16.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZnRe2
_chemical_formula_sum   'Sr1 Zn1 Re2'
_cell_volume   73.05
_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  Sr2  1  0.0  0.0  0.93  1.0
  Zn  Zn3  1  0.0  0.0  0.03  1.0
  Re  Re0  1  0.0  0.0  0.75  1.0
  Re  Re1  1  0.0  0.0  0.83  1.0

data_SrZnRe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.05
_cell_length_b   2.91
_cell_length_c   10.08
_cell_angle_alpha   90.0
_cell_angle_beta   99.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrZnRe2
_chemical_formula_sum   'Sr2 Zn2 Re4'
_cell_volume   146.1
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.07  1.0
  Zn  Zn1  2  0.0  0.0  0.97  1.0
  Re  Re2  2  0.0  0.0  0.17  1.0
  Re  Re3  2  0.0  0.0  0.25  1.0

Sr Zn Re Re