data_[Tm6Ga4Ni18]
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 [Immm]
_cell_length_a [3.9538]
_cell_length_b [8.5408]
_cell_length_c [12.0374]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Tm3Ga2Ni9]
_chemical_formula_sum '[Tm6 Ga4 Ni18]'
_cell_volume [406.4833]
_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  4  0.0000  0.0000  0.3019  1.0
  Tm  Tm1  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  4  0.0000  0.2121  0.5000  1.0
  Ni  Ni3  8  0.0000  0.2764  0.1200  1.0
  Ni  Ni4  8  0.0000  0.3541  0.3207  1.0
  Ni  Ni5  2  0.0000  0.5000  0.0000  1.0
]