data_[Tm16Ga4Sn2]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.3240]
_cell_length_b [4.8831]
_cell_length_c [7.8930]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.5644]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm8Ga2Sn]
_chemical_formula_sum '[Tm16 Ga4 Sn2]'
_cell_volume [576.7003]
_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  0.0532  0.0000  0.7285  1.0
  Tm  Tm1  4  0.1028  0.5000  0.4599  1.0
  Tm  Tm2  4  0.1594  0.0000  0.2297  1.0
  Tm  Tm3  4  0.1807  0.5000  0.9491  1.0
  Ga  Ga4  4  0.2177  0.0000  0.6502  1.0
  Sn  Sn5  2  0.0000  0.5000  0.0000  1.0
]