data_[Tm2Ga6I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ga  1.8100  1.3000  0.7600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.8189]
_cell_length_b [8.8622]
_cell_length_c [13.6617]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.8370]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tm(GaI2)3]
_chemical_formula_sum '[Tm2 Ga6 I12]'
_cell_volume [804.2296]
_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  0.0000  0.0000  0.0000  1
  Ga  Ga1  4  0.3230  0.1099  0.8043  1
  Ga  Ga2  2  0.5000  0.0000  0.5000  1
  I  I3  4  0.0936  0.0576  0.2403  1
  I  I4  4  0.2445  0.7137  0.0805  1
  I  I5  4  0.3698  0.1717  0.0499  1
]