data_SrZr2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.49
_cell_length_b   6.94
_cell_length_c   4.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZr2Cl
_chemical_formula_sum   'Sr1 Zr2 Cl1'
_cell_volume   114.39
_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
  Sr  Sr1  1  0.74  0.0  0.36  1.0
  Zr  Zr2  1  0.65  0.47  0.48  1.0
  Zr  Zr3  1  0.83  0.47  0.24  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_SrZr2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   4.72
_cell_length_c   6.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZr2Cl
_chemical_formula_sum   'Sr1 Zr2 Cl1'
_cell_volume   114.39
_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
  Sr  Sr0  1  0.26  0.64  0.0  1.0
  Zr  Zr1  1  0.17  0.76  0.53  1.0
  Zr  Zr2  1  0.35  0.52  0.53  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Sr Zr Zr Cl