data_NaBeOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   136.87
_cell_angle_beta   136.87
_cell_angle_gamma   62.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBeOs2
_chemical_formula_sum   'Na1 Be1 Os2'
_cell_volume   57.33
_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  Na1  1  0.0  0.0  0.26  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.0  0.83  0.13  1.0
  Os  Os3  1  0.83  0.0  0.13  1.0

data_NaBeOs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   4.99
_cell_angle_alpha   90.0
_cell_angle_beta   121.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaBeOs2
_chemical_formula_sum   'Na2 Be2 Os4'
_cell_volume   114.66
_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
  Na  Na0  2  0.0  0.0  0.26  1.0
  Be  Be1  2  0.0  0.0  0.0  1.0
  Os  Os2  4  0.08  0.08  0.3  1.0

Na Be Os Os
Na Be Os Os 0 3 - o o 0 2 o - o 0 1 o o o 1 3 - o o 1 2 o - o 