data_Na2SrBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07
_cell_length_b   6.14
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   92.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2SrBi
_chemical_formula_sum   'Na2 Sr1 Bi1'
_cell_volume   142.34
_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  0.77  0.07  0.54  1.0
  Na  Na2  1  0.04  0.07  0.17  1.0
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.91  0.0  0.85  1.0

data_Na2SrBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.07
_cell_length_b   5.71
_cell_length_c   6.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2SrBi
_chemical_formula_sum   'Na2 Sr1 Bi1'
_cell_volume   142.34
_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  0.23  0.46  0.93  1.0
  Na  Na1  1  0.96  0.83  0.93  1.0
  Sr  Sr2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.09  0.15  0.0  1.0

Na Na Sr Bi
Na Na Sr Bi 0 3 o o o 1 2 o o o 2 3 - o - 