data_[Al4Cd4In4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6766]
_cell_length_b [9.8266]
_cell_length_c [8.9912]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7408]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AlCdInCl4]
_chemical_formula_sum '[Al4 Cd4 In4 Cl16]'
_cell_volume [1078.0129]
_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
[
  Al  Al0  4  0.1530  0.5000  0.2624  1.0
  Cd  Cd1  4  0.0240  0.0000  0.8155  1.0
  In  In2  4  0.2396  0.0000  0.1330  1.0
  Cl  Cl3  8  0.1720  0.3250  0.1225  1.0
  Cl  Cl4  4  0.0074  0.5000  0.7009  1.0
  Cl  Cl5  4  0.2211  0.0000  0.5227  1.0
]