data_Na2LaOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   7.4
_cell_angle_alpha   109.56
_cell_angle_beta   109.56
_cell_angle_gamma   38.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2LaOs
_chemical_formula_sum   'Na2 La1 Os1'
_cell_volume   116.85
_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  0.61  0.0  0.08  1.0
  Na  Na2  1  0.78  0.0  0.13  1.0
  La  La0  1  0.05  0.0  0.56  1.0
  Os  Os3  1  0.2  0.0  0.6  1.0

data_Na2LaOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   5.21
_cell_length_c   7.4
_cell_angle_alpha   109.56
_cell_angle_beta   90.0
_cell_angle_gamma   109.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2LaOs
_chemical_formula_sum   'Na2 La1 Os1'
_cell_volume   116.85
_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  0.22  0.87  1.0
  Na  Na1  1  0.0  0.39  0.92  1.0
  La  La2  1  0.0  0.95  0.44  1.0
  Os  Os3  1  0.0  0.8  0.4  1.0

Na Na La Os
Na Na La Os 0 1 o o o 2 3 o o o 