data_Sr2ReBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.1
_cell_length_b   7.1
_cell_length_c   7.1
_cell_angle_alpha   151.19
_cell_angle_beta   136.09
_cell_angle_gamma   53.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2ReBr
_chemical_formula_sum   'Sr2 Re1 Br1'
_cell_volume   119.12
_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
  Sr  Sr2  1  0.0  0.0  0.38  1.0
  Sr  Sr3  1  0.0  0.66  0.9  1.0
  Re  Re1  1  0.77  0.0  0.17  1.0
  Br  Br0  1  0.0  0.0  0.25  1.0

data_Sr2ReBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   5.31
_cell_length_c   7.1
_cell_angle_alpha   111.96
_cell_angle_beta   104.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2ReBr
_chemical_formula_sum   'Sr2 Re1 Br1'
_cell_volume   119.12
_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
  Sr  Sr0  1  0.1  0.76  0.76  1.0
  Sr  Sr1  1  0.62  0.62  0.62  1.0
  Re  Re2  1  0.6  0.83  0.6  1.0
  Br  Br3  1  0.75  0.75  0.75  1.0

Sr Sr Re Br