data_Na2TcOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   4.68
_cell_angle_alpha   98.16
_cell_angle_beta   98.16
_cell_angle_gamma   28.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TcOs
_chemical_formula_sum   'Na2 Tc1 Os1'
_cell_volume   67.59
_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  0.94  0.0  0.16  1.0
  Na  Na1  1  0.18  0.0  0.47  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.06  0.0  0.31  1.0

data_Na2TcOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   4.68
_cell_length_c   5.57
_cell_angle_alpha   98.16
_cell_angle_beta   104.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TcOs
_chemical_formula_sum   'Na2 Tc1 Os1'
_cell_volume   67.59
_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  0.16  0.94  1.0
  Na  Na1  1  0.0  0.47  0.18  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.31  0.06  1.0

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