data_[Cs16Rb8As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rb  0.8200  2.3500  1.6600
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [10.5634]
_cell_length_b [22.0836]
_cell_length_c [8.5786]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Cs2RbAs]
_chemical_formula_sum '[Cs16 Rb8 As8]'
_cell_volume [2001.1964]
_cell_formula_units_Z [8]
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  8  0.0000  0.1334  0.6822  1.0
  Cs  Cs1  8  0.2500  0.1544  0.2500  1.0
  Rb  Rb2  8  0.1964  0.0000  0.0000  1.0
  As  As3  8  0.0000  0.0301  0.3662  1.0
]