data_NaTc2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   2.62
_cell_angle_alpha   98.53
_cell_angle_beta   98.53
_cell_angle_gamma   117.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTc2Os
_chemical_formula_sum   'Na1 Tc2 Os1'
_cell_volume   60.79
_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
  Tc  Tc2  1  0.98  0.77  0.26  1.0
  Tc  Tc3  1  0.98  0.23  0.26  1.0
  Os  Os1  1  0.71  0.0  0.0  1.0

data_NaTc2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.62
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   117.62
_cell_angle_beta   98.53
_cell_angle_gamma   98.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTc2Os
_chemical_formula_sum   'Na1 Tc2 Os1'
_cell_volume   60.79
_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
  Tc  Tc1  1  0.26  0.98  0.23  1.0
  Tc  Tc2  1  0.26  0.98  0.77  1.0
  Os  Os3  1  0.0  0.71  0.0  1.0

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