data_[Cs2In4As4]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.3688]
_cell_length_b [7.5425]
_cell_length_c [7.7228]
_cell_angle_alpha [105.1006]
_cell_angle_beta [107.3696]
_cell_angle_gamma [112.2592]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cs(InAs)2]
_chemical_formula_sum '[Cs2 In4 As4]'
_cell_volume [343.5423]
_cell_formula_units_Z [2]
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  2  0.1495  0.2439  0.8999  1.0
  In  In1  2  0.2285  0.4758  0.4813  1.0
  In  In2  2  0.4747  0.9775  0.2290  1.0
  As  As3  2  0.1945  0.7117  0.8096  1.0
  As  As4  2  0.4179  0.2264  0.5335  1.0
]