data_[Tm12Zn8Ga12]
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 [Cmcm]
_cell_length_a [4.3406]
_cell_length_b [10.5126]
_cell_length_c [14.2394]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tm3Zn2Ga3]
_chemical_formula_sum '[Tm12 Zn8 Ga12]'
_cell_volume [649.7641]
_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  8  0.0000  0.0857  0.6128  1.0
  Tm  Tm1  4  0.0000  0.3616  0.7500  1.0
  Zn  Zn2  8  0.0000  0.2086  0.0987  1.0
  Ga  Ga3  8  0.0000  0.3895  0.5405  1.0
  Ga  Ga4  4  0.0000  0.3477  0.2500  1.0
]