data_Sr2BiSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.68
_cell_length_b   8.68
_cell_length_c   8.68
_cell_angle_alpha   29.47
_cell_angle_beta   29.47
_cell_angle_gamma   29.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2BiSe
_chemical_formula_sum   'Sr2 Bi1 Se1'
_cell_volume   140.25
_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  0.48  1.0
  Sr  Sr3  1  0.0  0.0  0.42  1.0
  Bi  Bi0  1  0.0  0.0  0.45  1.0
  Se  Se1  1  0.0  0.0  0.0  1.0

data_Sr2BiSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.65
_cell_length_b   4.42
_cell_length_c   8.68
_cell_angle_alpha   90.0
_cell_angle_beta   107.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2BiSe
_chemical_formula_sum   'Sr4 Bi2 Se2'
_cell_volume   280.5
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.52  1.0
  Sr  Sr1  2  0.0  0.0  0.58  1.0
  Bi  Bi2  2  0.0  0.0  0.55  1.0
  Se  Se3  2  0.0  0.0  0.0  1.0

Sr Sr Bi Se
Sr Sr Bi Se 0 2 o o o 0 3 o o + 0 3 o o o 1 2 o o o 1 3 o o + 1 3 - o + 1 3 o - + 1 3 o o o 2 3 o o + 2 3 o o o 3 3 o + - 3 3 + - o 3 3 + o - 