data_[Cs2La2Cu4I16]
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
  Cu  1.9000  1.3500  0.8200
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.1985]
_cell_length_b [8.4883]
_cell_length_c [11.3556]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.5537]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsLa(CuI4)2]
_chemical_formula_sum '[Cs2 La2 Cu4 I16]'
_cell_volume [1069.4842]
_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  0.0000  0.0000  0.5000  1.0
  La  La1  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  4  0.0667  0.5000  0.7998  1.0
  I  I3  8  0.0811  0.2514  0.2357  1.0
  I  I4  4  0.1226  0.5000  0.6048  1.0
  I  I5  4  0.2477  0.5000  0.0199  1.0
]