data_[Cs4In4Sb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  In  1.7800  1.5500  0.9400
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.1942]
_cell_length_b [12.8118]
_cell_length_c [8.2026]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [CsInSb]
_chemical_formula_sum '[Cs4 In4 Sb4]'
_cell_volume [545.8534]
_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  0.0000  0.1735  0.6585  1.0
  In  In1  2  0.0000  0.0000  0.1697  1.0
  In  In2  2  0.5000  0.0000  0.9635  1.0
  Sb  Sb3  4  0.5000  0.1131  0.3045  1.0
]