data_[Tm16Tl4Cu2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.2841]
_cell_length_b [5.0437]
_cell_length_c [6.6506]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5721]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm8Tl2Cu]
_chemical_formula_sum '[Tm16 Tl4 Cu2]'
_cell_volume [600.8474]
_cell_formula_units_Z [2]
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
[
  Tm  Tm0  4  0.0162  0.0000  0.7713  1.0
  Tm  Tm1  4  0.0904  0.5000  0.4564  1.0
  Tm  Tm2  4  0.1475  0.5000  0.9771  1.0
  Tm  Tm3  4  0.2039  0.0000  0.3043  1.0
  Tl  Tl4  4  0.1886  0.0000  0.7528  1.0
  Cu  Cu5  2  0.0000  0.5000  0.0000  1.0
]