data_SrSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   8.22
_cell_angle_alpha   100.06
_cell_angle_beta   100.06
_cell_angle_gamma   50.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSe2
_chemical_formula_sum   'Sr2 Se4'
_cell_volume   196.33
_cell_formula_units_Z   2
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  Sr4  1  0.47  0.0  0.61  1.0
  Sr  Sr5  1  0.34  0.0  0.28  1.0
  Se  Se0  1  0.42  0.0  0.54  1.0
  Se  Se1  1  0.64  0.0  0.25  1.0
  Se  Se2  1  0.36  0.0  0.67  1.0
  Se  Se3  1  0.22  0.0  0.14  1.0

data_SrSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.81
_cell_length_b   5.6
_cell_length_c   8.22
_cell_angle_alpha   100.06
_cell_angle_beta   90.0
_cell_angle_gamma   115.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSe2
_chemical_formula_sum   'Sr2 Se4'
_cell_volume   196.33
_cell_formula_units_Z   2
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  0.53  0.39  1.0
  Sr  Sr1  1  0.0  0.66  0.72  1.0
  Se  Se2  1  0.0  0.36  0.75  1.0
  Se  Se3  1  0.0  0.58  0.46  1.0
  Se  Se4  1  0.0  0.64  0.33  1.0
  Se  Se5  1  0.0  0.78  0.86  1.0

Sr Sr Se Se Se Se
Sr Sr Se Se Se Se 0 2 o o o 0 4 o o o 1 5 o o o 1 3 o o o 