data_[Ca4In8Ag4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  In  1.7800  1.5500  0.9400
  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 [4.1658]
_cell_length_b [18.2903]
_cell_length_c [13.9513]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [CaIn2AgCl5]
_chemical_formula_sum '[Ca4 In8 Ag4 Cl20]'
_cell_volume [1062.9891]
_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
[
  Ca  Ca0  4  0.0000  0.2112  0.0263  1.0
  In  In1  4  0.0000  0.0940  0.6651  1.0
  In  In2  4  0.0000  0.1321  0.3178  1.0
  Ag  Ag3  4  0.0000  0.4531  0.4380  1.0
  Cl  Cl4  4  0.0000  0.0588  0.0490  1.0
  Cl  Cl5  4  0.0000  0.2782  0.6566  1.0
  Cl  Cl6  4  0.0000  0.3024  0.3958  1.0
  Cl  Cl7  4  0.0000  0.3602  0.0014  1.0
  Cl  Cl8  4  0.0000  0.4916  0.7739  1.0
]