data_BiOsSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13
_cell_length_b   3.13
_cell_length_c   8.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiOsSe2
_chemical_formula_sum   'Bi1 Os1 Se2'
_cell_volume   83.14
_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
  Bi  Bi0  1  0.0  0.0  0.24  1.0
  Os  Os1  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.56  0.56  0.53  1.0
  Se  Se3  1  0.56  0.56  0.96  1.0

data_BiOsSe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   8.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BiOsSe2
_chemical_formula_sum   'Bi2 Os2 Se4'
_cell_volume   166.28
_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
  Bi  Bi0  2  0.0  0.0  0.24  1.0
  Os  Os1  2  0.0  0.0  0.0  1.0
  Se  Se2  2  0.06  0.5  0.53  1.0
  Se  Se3  2  0.06  0.5  0.96  1.0

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