data_[Li4Ca4Ag8Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [Cmc2_1]
_cell_length_a [4.0574]
_cell_length_b [17.5082]
_cell_length_c [13.9016]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiCaAg2Cl5]
_chemical_formula_sum '[Li4 Ca4 Ag8 Cl20]'
_cell_volume [987.5453]
_cell_formula_units_Z [4]
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
[
  Li  Li0  4  0.0000  0.4316  0.4585  1.0
  Ca  Ca1  4  0.0000  0.2813  0.0175  1.0
  Ag  Ag2  4  0.0000  0.0678  0.6626  1.0
  Ag  Ag3  4  0.0000  0.0693  0.3309  1.0
  Cl  Cl4  4  0.0000  0.1266  0.9999  1.0
  Cl  Cl5  4  0.0000  0.2054  0.3813  1.0
  Cl  Cl6  4  0.0000  0.2189  0.6496  1.0
  Cl  Cl7  4  0.0000  0.4429  0.0325  1.0
  Cl  Cl8  4  0.0000  0.4795  0.2911  1.0
]