data_Sr2RuCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   120.75
_cell_angle_beta   119.6
_cell_angle_gamma   89.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2RuCl
_chemical_formula_sum   'Sr2 Ru1 Cl1'
_cell_volume   106.77
_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  Sr2  1  0.63  0.0  0.89  1.0
  Sr  Sr3  1  0.0  0.68  0.89  1.0
  Ru  Ru1  1  0.0  0.0  0.78  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Sr2RuCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.27
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   60.4
_cell_angle_beta   60.38
_cell_angle_gamma   60.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2RuCl
_chemical_formula_sum   'Sr2 Ru1 Cl1'
_cell_volume   106.77
_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  0.0  0.37  0.89  1.0
  Sr  Sr1  1  0.68  0.0  0.21  1.0
  Ru  Ru2  1  0.0  0.0  0.78  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Sr Sr Ru Cl