data_[Lu4Tl4Si4Te12]
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
  Si  1.9000  1.1000  0.5400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.6185]
_cell_length_b [14.8882]
_cell_length_c [11.4317]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LuTlSiTe3]
_chemical_formula_sum '[Lu4 Tl4 Si4 Te12]'
_cell_volume [786.0562]
_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  0.0000  0.5000  0.0000  1
  Tl  Tl1  4  0.0000  0.2501  0.2500  1
  Si  Si2  4  0.0000  0.0316  0.7500  1
  Te  Te3  8  0.0000  0.1338  0.5503  1
  Te  Te4  4  0.0000  0.4271  0.7500  1
]