data_[Lu4Tl8]
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
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.7062]
_cell_length_b [14.5568]
_cell_length_c [4.6807]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [LuTl2]
_chemical_formula_sum '[Lu4 Tl8]'
_cell_volume [320.6581]
_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  0.3429  0.0000  1.0
  Tl  Tl1  4  0.0000  0.1770  0.5000  1.0
  Tl  Tl2  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl3  2  0.0000  0.5000  0.5000  1.0
]