data_[Lu32Te48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [8.5995]
_cell_length_b [12.1091]
_cell_length_c [25.7793]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [Lu2Te3]
_chemical_formula_sum '[Lu32 Te48]'
_cell_volume [2684.4783]
_cell_formula_units_Z [16]
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
[
  Lu  Lu0  16  0.0000  0.0000  0.0824  1.0
  Lu  Lu1  16  0.0000  0.0000  0.2503  1.0
  Te  Te2  32  0.0016  0.2496  0.0828  1.0
  Te  Te3  16  0.0020  0.2500  0.7500  1.0
]