data_[Cs10Al2Ga12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.8498]
_cell_length_b [15.4815]
_cell_length_c [8.8182]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.8021]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs5AlGa6]
_chemical_formula_sum '[Cs10 Al2 Ga12]'
_cell_volume [1113.7473]
_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  4  0.0000  0.1836  0.5000  1
  Cs  Cs1  4  0.0000  0.3440  0.0000  1
  Cs  Cs2  2  0.0000  0.5000  0.5000  1
  Al  Al3  2  0.0000  0.0000  0.0000  1
  Ga  Ga4  8  0.1594  0.1208  0.1710  1
  Ga  Ga5  4  0.1405  0.0000  0.8056  1
]