data_[Sr1Cu1Ag2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Cu  1.9000  1.3500  0.8200
  Ag  1.9300  1.6000  1.0867
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.7244]
_cell_length_b [6.8035]
_cell_length_c [7.0000]
_cell_angle_alpha [114.5247]
_cell_angle_beta [90.3103]
_cell_angle_gamma [114.0583]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [SrCu(AgCl3)2]
_chemical_formula_sum '[Sr1 Cu1 Ag2 Cl6]'
_cell_volume [260.1034]
_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  0.8204  0.6328  0.4540  1.0
  Cu  Cu1  1  0.3405  0.6624  0.9741  1.0
  Ag  Ag2  1  0.0344  0.0810  0.0693  1.0
  Ag  Ag3  1  0.5253  0.0642  0.5875  1.0
  Cl  Cl4  1  0.1261  0.8202  0.2023  1.0
  Cl  Cl5  1  0.2475  0.7959  0.7451  1.0
  Cl  Cl6  1  0.3997  0.5176  0.2057  1.0
  Cl  Cl7  1  0.5407  0.4979  0.7461  1.0
  Cl  Cl8  1  0.7112  0.1281  0.2590  1.0
  Cl  Cl9  1  0.9160  0.1230  0.7417  1.0
]