data_[Cs4La4I16]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [6.3921]
_cell_length_b [23.4510]
_cell_length_c [8.8803]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [CsLaI4]
_chemical_formula_sum '[Cs4 La4 I16]'
_cell_volume [1331.1728]
_cell_formula_units_Z [4]
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  0.1613  0.6665  1
  La  La1  4  0.0000  0.4084  0.7304  1
  I  I2  4  0.0000  0.0827  0.2469  1
  I  I3  4  0.0000  0.2980  0.9240  1
  I  I4  4  0.0000  0.3398  0.4363  1
  I  I5  4  0.0000  0.4698  0.0625  1
]