data_[Cs4Cd4In4As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5777]
_cell_length_b [4.5433]
_cell_length_c [10.5991]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9641]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsCdInAs2]
_chemical_formula_sum '[Cs4 Cd4 In4 As8]'
_cell_volume [693.4037]
_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
[
  Cs  Cs0  4  0.1561  0.5000  0.6653  1.0
  Cd  Cd1  4  0.1774  0.5000  0.0729  1.0
  In  In2  4  0.0496  0.0000  0.1818  1.0
  As  As3  4  0.1188  0.5000  0.3073  1.0
  As  As4  4  0.1282  0.0000  0.9383  1.0
]