data_[Tm4Hf4Ga12]
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 [Cmcm]
_cell_length_a [3.7362]
_cell_length_b [25.4392]
_cell_length_c [4.1088]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [TmHfGa3]
_chemical_formula_sum '[Tm4 Hf4 Ga12]'
_cell_volume [390.5342]
_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  0.0000  0.0765  0.2500  1.0
  Hf  Hf1  4  0.0000  0.2110  0.7500  1.0
  Ga  Ga2  4  0.0000  0.3190  0.7500  1.0
  Ga  Ga3  4  0.0000  0.3765  0.2500  1.0
  Ga  Ga4  4  0.0000  0.4746  0.2500  1.0
]