data_NaSr2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   8.61
_cell_angle_alpha   105.13
_cell_angle_beta   105.13
_cell_angle_gamma   58.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSr2Si
_chemical_formula_sum   'Na1 Sr2 Si1'
_cell_volume   172.34
_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  0.0  0.0  0.0  1.0
  Sr  Sr2  1  0.88  0.0  0.76  1.0
  Sr  Sr3  1  0.17  0.0  0.45  1.0
  Si  Si1  1  0.02  0.0  0.11  1.0

data_NaSr2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.87
_cell_length_b   4.95
_cell_length_c   8.61
_cell_angle_alpha   105.13
_cell_angle_beta   90.0
_cell_angle_gamma   119.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSr2Si
_chemical_formula_sum   'Na1 Sr2 Si1'
_cell_volume   172.34
_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  0.0  0.0  0.0  1.0
  Sr  Sr1  1  0.0  0.12  0.24  1.0
  Sr  Sr2  1  0.0  0.83  0.55  1.0
  Si  Si3  1  0.0  0.98  0.89  1.0

Na Sr Sr Si