data_SrSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23
_cell_length_b   6.23
_cell_length_c   8.14
_cell_angle_alpha   110.26
_cell_angle_beta   110.26
_cell_angle_gamma   38.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSe
_chemical_formula_sum   'Sr3 Se3'
_cell_volume   183.37
_cell_formula_units_Z   3
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  Sr3  1  0.99  0.0  0.25  1.0
  Sr  Sr4  1  0.15  0.0  0.96  1.0
  Sr  Sr5  1  0.19  0.0  0.24  1.0
  Se  Se0  1  0.8  0.0  0.56  1.0
  Se  Se1  1  0.73  0.0  0.7  1.0
  Se  Se2  1  0.99  0.0  0.27  1.0

data_SrSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.12
_cell_length_b   6.23
_cell_length_c   8.14
_cell_angle_alpha   110.26
_cell_angle_beta   90.0
_cell_angle_gamma   109.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSe
_chemical_formula_sum   'Sr3 Se3'
_cell_volume   183.37
_cell_formula_units_Z   3
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  0.01  0.75  1.0
  Sr  Sr1  1  0.0  0.81  0.76  1.0
  Sr  Sr2  1  0.0  0.85  0.04  1.0
  Se  Se3  1  0.0  0.01  0.73  1.0
  Se  Se4  1  0.0  0.2  0.44  1.0
  Se  Se5  1  0.0  0.27  0.3  1.0

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