data_[Tm4Sc12Ga8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.3928]
_cell_length_b [8.8187]
_cell_length_c [14.1383]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [TmSc3Ga2]
_chemical_formula_sum '[Tm4 Sc12 Ga8]'
_cell_volume [547.7028]
_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  0.0000  0.1255  1.0
  Sc  Sc1  8  0.0000  0.1929  0.3274  1.0
  Sc  Sc2  4  0.0000  0.3306  0.0000  1.0
  Ga  Ga3  4  0.0000  0.3565  0.5000  1.0
  Ga  Ga4  4  0.0000  0.5000  0.2093  1.0
]