data_[Tm2Hf4Ga8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Hf  1.3000  1.5500  0.8500
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.9055]
_cell_length_b [6.7981]
_cell_length_c [5.8942]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.0395]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm(HfGa2)2]
_chemical_formula_sum '[Tm2 Hf4 Ga8]'
_cell_volume [273.1950]
_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  0.5000  1.0
  Hf  Hf1  4  0.0172  0.5000  0.2679  1.0
  Ga  Ga2  8  0.1952  0.1955  0.1744  1.0
]