data_[Tm12Tl6In2]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.7952]
_cell_length_b [3.6046]
_cell_length_c [13.8824]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4535]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tm6Tl3In]
_chemical_formula_sum '[Tm12 Tl6 In2]'
_cell_volume [571.5567]
_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  2  0.1225  0.2500  0.4663  1
  Tm  Tm1  2  0.1450  0.7500  0.8801  1
  Tm  Tm2  2  0.1913  0.7500  0.2497  1
  Tm  Tm3  2  0.2644  0.7500  0.6766  1
  Tm  Tm4  2  0.3810  0.2500  0.0967  1
  Tm  Tm5  2  0.4915  0.7500  0.3214  1
  Tl  Tl6  2  0.1095  0.2500  0.0586  1
  Tl  Tl7  2  0.3549  0.7500  0.4855  1
  Tl  Tl8  2  0.3866  0.2500  0.8690  1
  In  In9  2  0.0462  0.2500  0.6848  1
]