data_[Tm4Tl2Cd5]
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
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.0301]
_cell_length_b [3.4773]
_cell_length_c [10.1950]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.9263]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tm4Tl2Cd5]
_chemical_formula_sum '[Tm4 Tl2 Cd5]'
_cell_volume [283.1560]
_cell_formula_units_Z [1]
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  2  0.1696  0.5000  0.8925  1.0
  Tm  Tm1  2  0.2791  0.5000  0.4384  1.0
  Tl  Tl2  2  0.0692  0.0000  0.6423  1.0
  Cd  Cd3  2  0.1873  0.0000  0.1575  1.0
  Cd  Cd4  2  0.4509  0.0000  0.7030  1.0
  Cd  Cd5  1  0.5000  0.0000  0.0000  1.0
]