data_NaOsSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   5.5
_cell_angle_alpha   139.01
_cell_angle_beta   139.01
_cell_angle_gamma   59.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaOsSe2
_chemical_formula_sum   'Na1 Os1 Se2'
_cell_volume   70.92
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.93  0.0  0.39  1.0
  Se  Se2  1  0.0  0.0  0.78  1.0
  Se  Se3  1  0.0  0.93  0.39  1.0

data_NaOsSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.85
_cell_length_b   3.85
_cell_length_c   5.5
_cell_angle_alpha   110.49
_cell_angle_beta   110.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaOsSe2
_chemical_formula_sum   'Na1 Os1 Se2'
_cell_volume   70.92
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.61  0.0  0.54  1.0
  Se  Se2  1  0.22  0.0  0.22  1.0
  Se  Se3  1  0.54  0.93  0.54  1.0

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