data_[Lu4Tl4Te12Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Tl  1.6200  1.9000  1.3325
  Te  2.1000  1.4000  1.2933
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [16.0759]
_cell_length_b [4.1869]
_cell_length_c [11.0972]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [LuTlTe3Pd]
_chemical_formula_sum '[Lu4 Tl4 Te12 Pd4]'
_cell_volume [746.9377]
_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
[
  Lu  Lu0  4  0.0204  0.2500  0.3350  1
  Tl  Tl1  4  0.2334  0.2500  0.0422  1
  Te  Te2  4  0.0920  0.7500  0.8957  1
  Te  Te3  4  0.1026  0.2500  0.5758  1
  Te  Te4  4  0.1441  0.7500  0.2533  1
  Pd  Pd5  4  0.0099  0.7500  0.1064  1
]