data_NaSr2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29
_cell_length_b   9.28
_cell_length_c   9.28
_cell_angle_alpha   27.28
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSr2Se
_chemical_formula_sum   'Na1 Sr2 Se1'
_cell_volume   169.29
_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  0.54  1.0
  Sr  Sr2  1  0.0  0.0  0.22  1.0
  Sr  Sr3  1  0.15  0.0  0.02  1.0
  Se  Se1  1  0.15  0.0  0.11  1.0

data_NaSr2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.29
_cell_length_b   4.38
_cell_length_c   9.28
_cell_angle_alpha   103.64
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSr2Se
_chemical_formula_sum   'Na1 Sr2 Se1'
_cell_volume   169.29
_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  0.54  0.54  1.0
  Sr  Sr1  1  0.0  0.22  0.22  1.0
  Sr  Sr2  1  0.85  0.02  0.02  1.0
  Se  Se3  1  0.85  0.11  0.11  1.0

Na Sr Sr Se
Na Sr Sr Se 0 1 o o o 1 3 o o o 2 3 o o o 