data_[Tm12Zn4Ga12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Zn  1.6500  1.3500  0.8800
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5800]
_cell_length_b [4.3333]
_cell_length_c [13.9374]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9375]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm3ZnGa3]
_chemical_formula_sum '[Tm12 Zn4 Ga12]'
_cell_volume [600.6772]
_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  0.0358  0.5000  0.3802  1
  Tm  Tm1  4  0.1020  0.5000  0.9212  1
  Tm  Tm2  4  0.2413  0.5000  0.2211  1
  Zn  Zn3  4  0.2451  0.0000  0.3926  1
  Ga  Ga4  4  0.0314  0.0000  0.2317  1
  Ga  Ga5  4  0.1142  0.0000  0.0742  1
  Ga  Ga6  4  0.1296  0.0000  0.5466  1
]