data_[Cs1La1Cu1I6]
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 [P1]
_cell_length_a [7.5160]
_cell_length_b [7.6357]
_cell_length_c [8.4441]
_cell_angle_alpha [93.8046]
_cell_angle_beta [97.0615]
_cell_angle_gamma [110.8641]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsLaCuI6]
_chemical_formula_sum '[Cs1 La1 Cu1 I6]'
_cell_volume [446.2139]
_cell_formula_units_Z [1]
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  1  0.9318  0.0353  0.0152  1.0
  La  La1  1  0.3303  0.6876  0.5258  1.0
  Cu  Cu2  1  0.7195  0.3805  0.4503  1.0
  I  I3  1  0.0147  0.3297  0.6371  1.0
  I  I4  1  0.3745  0.9698  0.8172  1.0
  I  I5  1  0.4242  0.4223  0.2607  1.0
  I  I6  1  0.5812  0.0103  0.3335  1.0
  I  I7  1  0.6559  0.5679  0.7066  1.0
  I  I8  1  0.9682  0.5969  0.2534  1.0
]