data_[Th4Al2Ga2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.1109]
_cell_length_b [4.1358]
_cell_length_c [8.7710]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1950]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Th2AlGa]
_chemical_formula_sum '[Th4 Al2 Ga2]'
_cell_volume [209.3501]
_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
[
  Th  Th0  2  0.2141  0.7500  0.4258  1
  Th  Th1  2  0.2791  0.2500  0.0703  1
  Al  Al2  2  0.3576  0.2500  0.7154  1
  Ga  Ga3  2  0.1445  0.7500  0.7861  1
]