data_Sr2ReNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   2.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   98.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2ReNi
_chemical_formula_sum   'Sr2 Re1 Ni1'
_cell_volume   90.69
_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  0.82  0.89  0.48  1.0
  Sr  Sr3  1  0.82  0.11  0.48  1.0
  Re  Re1  1  0.64  0.0  0.0  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0

data_Sr2ReNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   5.57
_cell_length_c   5.57
_cell_angle_alpha   98.49
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2ReNi
_chemical_formula_sum   'Sr2 Re1 Ni1'
_cell_volume   90.69
_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  0.48  0.82  0.11  1.0
  Sr  Sr1  1  0.48  0.82  0.89  1.0
  Re  Re2  1  0.0  0.64  0.0  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

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