data_[Ca1Ag3Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ag  1.9300  1.6000  1.0867
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7733]
_cell_length_b [6.8823]
_cell_length_c [7.2573]
_cell_angle_alpha [64.5573]
_cell_angle_beta [89.3186]
_cell_angle_gamma [63.6750]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ca(AgCl2)3]
_chemical_formula_sum '[Ca1 Ag3 Cl6]'
_cell_volume [267.0647]
_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
[
  Ca  Ca0  1  0.0000  0.0000  0.0000  1.0
  Ag  Ag1  2  0.2006  0.6055  0.5730  1.0
  Ag  Ag2  1  0.5000  0.0000  0.5000  1.0
  Cl  Cl3  2  0.0880  0.5252  0.2634  1.0
  Cl  Cl4  2  0.2623  0.8398  0.7446  1.0
  Cl  Cl5  2  0.3886  0.8374  0.2765  1.0
]