data_[Cs4Lu4Zn4Te12]
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
  Zn  1.6500  1.3500  0.8800
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.6004]
_cell_length_b [4.3851]
_cell_length_c [17.1567]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CsLuZnTe3]
_chemical_formula_sum '[Cs4 Lu4 Zn4 Te12]'
_cell_volume [872.7428]
_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  0.2444  0.2500  0.0033  1
  Lu  Lu1  4  0.0044  0.7500  0.2513  1
  Zn  Zn2  4  0.2469  0.7500  0.7890  1
  Te  Te3  4  0.0495  0.7500  0.8673  1
  Te  Te4  4  0.0577  0.2500  0.3699  1
  Te  Te5  4  0.2464  0.2500  0.6916  1
]