data_[K3Ca3Ag6Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [R3]
_cell_length_a [7.0437]
_cell_length_b [7.0437]
_cell_length_c [18.8280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [KCa(AgCl3)2]
_chemical_formula_sum '[K3 Ca3 Ag6 Cl18]'
_cell_volume [808.9719]
_cell_formula_units_Z [3]
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
[
  K  K0  3  0.0000  0.0000  0.2027  1.0
  Ca  Ca1  3  0.0000  0.0000  0.6819  1.0
  Ag  Ag2  3  0.0000  0.0000  0.4866  1.0
  Ag  Ag3  3  0.0000  0.0000  0.9955  1.0
  Cl  Cl4  9  0.0019  0.3631  0.7425  1.0
  Cl  Cl5  9  0.0115  0.5855  0.2482  1.0
]