data_BiOsSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   128.5
_cell_angle_beta   128.5
_cell_angle_gamma   75.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiOsSe2
_chemical_formula_sum   'Bi1 Os1 Se2'
_cell_volume   80.78
_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  0.23  0.0  0.03  1.0
  Os  Os1  1  0.0  0.0  0.05  1.0
  Se  Se2  1  0.0  0.23  0.03  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_BiOsSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   5.14
_cell_angle_alpha   115.75
_cell_angle_beta   115.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiOsSe2
_chemical_formula_sum   'Bi1 Os1 Se2'
_cell_volume   80.78
_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  0.03  0.79  0.79  1.0
  Os  Os1  1  0.05  0.05  0.05  1.0
  Se  Se2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.79  0.03  0.79  1.0

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