data_[Sr1Ag2Ru1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ag  1.9300  1.6000  1.0867
  Ru  2.2000  1.3000  0.6610
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5022]
_cell_length_b [6.9789]
_cell_length_c [8.2017]
_cell_angle_alpha [70.9371]
_cell_angle_beta [87.4933]
_cell_angle_gamma [78.7423]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SrAg2RuCl8]
_chemical_formula_sum '[Sr1 Ag2 Ru1 Cl8]'
_cell_volume [344.9188]
_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  0.0000  0.0000  0.5000  1.0
  Ag  Ag1  2  0.4618  0.3346  0.7127  1.0
  Ru  Ru2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.0810  0.2371  0.7313  1.0
  Cl  Cl4  2  0.1332  0.1926  0.1475  1.0
  Cl  Cl5  2  0.3297  0.7981  0.0076  1.0
  Cl  Cl6  2  0.4092  0.7367  0.5697  1.0
]