data_[Cs12Lu2Sb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Lu  1.2700  1.7500  1.0010
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.5015]
_cell_length_b [6.7637]
_cell_length_c [13.1970]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.2549]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Cs6LuSb3]
_chemical_formula_sum '[Cs12 Lu2 Sb6]'
_cell_volume [1006.8841]
_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  0.0980  0.2500  0.3607  1
  Cs  Cs1  2  0.1080  0.2500  0.6706  1
  Cs  Cs2  2  0.1304  0.2500  0.0158  1
  Cs  Cs3  2  0.2550  0.7500  0.2146  1
  Cs  Cs4  2  0.4445  0.2500  0.5417  1
  Cs  Cs5  2  0.4621  0.2500  0.9291  1
  Lu  Lu6  2  0.3249  0.7500  0.7217  1
  Sb  Sb7  2  0.1821  0.7500  0.8824  1
  Sb  Sb8  2  0.2071  0.7500  0.5056  1
  Sb  Sb9  2  0.4180  0.2500  0.2290  1
]