data_[Cs4La8Cu12Te16Se4]
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
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4329]
_cell_length_b [15.6933]
_cell_length_c [18.7805]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CsLa2Cu3Te4Se]
_chemical_formula_sum '[Cs4 La8 Cu12 Te16 Se4]'
_cell_volume [1306.4932]
_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  0.0684  0.7500  1
  La  La1  8  0.0000  0.1955  0.0967  1
  Cu  Cu2  8  0.0000  0.4167  0.0200  1
  Cu  Cu3  4  0.0000  0.3368  0.7500  1
  Te  Te4  8  0.0000  0.1566  0.5688  1
  Te  Te5  8  0.0000  0.4471  0.6189  1
  Se  Se6  4  0.0000  0.2336  0.2500  1
]