data_[Cs12Ga2Sb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ga  1.8100  1.3000  0.7600
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.2280]
_cell_length_b [6.5883]
_cell_length_c [13.0027]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.3431]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Cs6GaSb3]
_chemical_formula_sum '[Cs12 Ga2 Sb6]'
_cell_volume [943.0703]
_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  0.0841  0.2500  0.3686  1.0
  Cs  Cs1  2  0.1275  0.2500  0.6790  1.0
  Cs  Cs2  2  0.1372  0.2500  0.0224  1.0
  Cs  Cs3  2  0.2569  0.7500  0.2265  1.0
  Cs  Cs4  2  0.4393  0.2500  0.5446  1.0
  Cs  Cs5  2  0.4590  0.2500  0.9216  1.0
  Ga  Ga6  2  0.3225  0.7500  0.7206  1.0
  Sb  Sb7  2  0.1893  0.7500  0.8747  1.0
  Sb  Sb8  2  0.2154  0.7500  0.5172  1.0
  Sb  Sb9  2  0.4363  0.2500  0.2308  1.0
]