data_[Cs4Lu8Cu4Te4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Lu  1.2700  1.7500  1.0010
  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 [4.1975]
_cell_length_b [14.8345]
_cell_length_c [14.4135]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CsLu2CuTeSe3]
_chemical_formula_sum '[Cs4 Lu8 Cu4 Te4 Se12]'
_cell_volume [897.5073]
_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  0.3936  0.7500  1
  Lu  Lu1  8  0.0000  0.1422  0.5668  1
  Cu  Cu2  4  0.0000  0.3347  0.2500  1
  Te  Te3  4  0.0000  0.5000  0.0000  1
  Se  Se4  8  0.0000  0.2410  0.1058  1
  Se  Se5  4  0.0000  0.0803  0.7500  1
]