data_[Tm8Ga20Ni12]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1494]
_cell_length_b [24.0564]
_cell_length_c [6.5166]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tm2Ga5Ni3]
_chemical_formula_sum '[Tm8 Ga20 Ni12]'
_cell_volume [650.4797]
_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  0.1739  0.2228  1
  Tm  Tm1  4  0.0000  0.4810  0.2594  1
  Ga  Ga2  4  0.0000  0.0524  0.0792  1
  Ga  Ga3  4  0.0000  0.1249  0.7505  1
  Ga  Ga4  4  0.0000  0.2892  0.0142  1
  Ga  Ga5  4  0.0000  0.2938  0.4176  1
  Ga  Ga6  4  0.0000  0.4000  0.9103  1
  Ni  Ni7  4  0.0000  0.0497  0.4741  1
  Ni  Ni8  4  0.0000  0.2267  0.7131  1
  Ni  Ni9  4  0.0000  0.3928  0.5235  1
]