data_[Tm4Zr12Tl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Zr  1.3300  1.5500  0.8600
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.9027]
_cell_length_b [4.8994]
_cell_length_c [9.0223]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.3803]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TmZr3Tl2]
_chemical_formula_sum '[Tm4 Zr12 Tl8]'
_cell_volume [593.6638]
_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
[
  Tm  Tm0  4  0.1298  0.0000  0.1098  1
  Zr  Zr1  4  0.0483  0.0000  0.3845  1
  Zr  Zr2  4  0.1134  0.5000  0.6473  1
  Zr  Zr3  4  0.2151  0.5000  0.4213  1
  Tl  Tl4  4  0.0094  0.5000  0.8455  1
  Tl  Tl5  4  0.2259  0.0000  0.8644  1
]