data_[Cs8In4As8]
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 [C2/m]
_cell_length_a [15.6318]
_cell_length_b [4.8144]
_cell_length_c [11.9765]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.7093]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2InAs2]
_chemical_formula_sum '[Cs8 In4 As8]'
_cell_volume [749.7807]
_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  0.0144  0.0000  0.6716  1
  Cs  Cs1  4  0.1727  0.0000  0.0840  1
  In  In2  4  0.2024  0.5000  0.3584  1
  As  As3  4  0.0098  0.5000  0.1130  1
  As  As4  4  0.1793  0.5000  0.5698  1
]