data_Sr2ReSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.24
_cell_length_b   6.24
_cell_length_c   4.72
_cell_angle_alpha   92.35
_cell_angle_beta   92.35
_cell_angle_gamma   39.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2ReSe
_chemical_formula_sum   'Sr2 Re1 Se1'
_cell_volume   116.14
_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  0.55  0.0  0.64  1.0
  Sr  Sr3  1  1.0  0.0  0.88  1.0
  Re  Re0  1  0.38  0.0  0.08  1.0
  Se  Se1  1  0.18  0.0  0.49  1.0

data_Sr2ReSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.19
_cell_length_b   4.72
_cell_length_c   6.24
_cell_angle_alpha   92.35
_cell_angle_beta   109.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2ReSe
_chemical_formula_sum   'Sr2 Re1 Se1'
_cell_volume   116.14
_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  0.64  0.55  1.0
  Sr  Sr1  1  0.0  0.88  1.0  1.0
  Re  Re2  1  0.0  0.08  0.38  1.0
  Se  Se3  1  0.0  0.49  0.18  1.0

Sr Sr Re Se