data_[Th8Zn4Ga8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  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 [11.0054]
_cell_length_b [4.4659]
_cell_length_c [10.7213]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.7447]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th2ZnGa2]
_chemical_formula_sum '[Th8 Zn4 Ga8]'
_cell_volume [466.3626]
_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
[
  Th  Th0  4  0.0076  0.0000  0.3289  1
  Th  Th1  4  0.1861  0.0000  0.1013  1
  Zn  Zn2  4  0.2198  0.5000  0.3475  1
  Ga  Ga3  4  0.0205  0.5000  0.8853  1
  Ga  Ga4  4  0.1439  0.5000  0.5664  1
]