data_[Cs8La8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  La  1.1000  1.9500  1.1720
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [15.4820]
_cell_length_b [3.9623]
_cell_length_c [16.0073]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CsLa]
_chemical_formula_sum '[Cs8 La8]'
_cell_volume [981.9609]
_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  4  0.1245  0.2500  0.2127  1
  Cs  Cs1  4  0.1550  0.7500  0.9235  1
  La  La2  4  0.0861  0.7500  0.4631  1
  La  La3  4  0.1075  0.2500  0.6435  1
]