data_[Ca4Zn4In4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Zn  1.6500  1.3500  0.8800
  In  1.7800  1.5500  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.0786]
_cell_length_b [11.9728]
_cell_length_c [9.8721]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.1189]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CaZnInCl5]
_chemical_formula_sum '[Ca4 Zn4 In4 Cl20]'
_cell_volume [979.3875]
_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  0.0000  0.0000  1.0
  Zn  Zn1  4  0.0000  0.3166  0.7500  1.0
  In  In2  4  0.0000  0.3377  0.2500  1.0
  Cl  Cl3  8  0.1154  0.2096  0.6252  1.0
  Cl  Cl4  8  0.1820  0.4304  0.9285  1.0
  Cl  Cl5  4  0.0000  0.0861  0.2500  1.0
]