data_NaSr2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.6
_cell_length_b   6.6
_cell_length_c   4.08
_cell_angle_alpha   104.36
_cell_angle_beta   104.36
_cell_angle_gamma   101.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSr2Cl
_chemical_formula_sum   'Na1 Sr2 Cl1'
_cell_volume   160.18
_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  0.0  0.0  0.0  1.0
  Sr  Sr2  1  0.29  0.56  0.87  1.0
  Sr  Sr3  1  0.29  0.44  0.87  1.0
  Cl  Cl0  1  0.18  0.0  0.0  1.0

data_NaSr2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.08
_cell_length_b   6.6
_cell_length_c   6.6
_cell_angle_alpha   101.56
_cell_angle_beta   104.36
_cell_angle_gamma   104.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSr2Cl
_chemical_formula_sum   'Na1 Sr2 Cl1'
_cell_volume   160.18
_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  0.87  0.29  0.44  1.0
  Sr  Sr2  1  0.87  0.29  0.56  1.0
  Cl  Cl3  1  -0.0  0.18  0.0  1.0

Na Sr Sr Cl
Na Sr Sr Cl 0 3 o o o 1 2 o o o 