data_[Dy1Th1Zn2Ga2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  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 [P-3m1]
_cell_length_a [4.4166]
_cell_length_b [4.4166]
_cell_length_c [7.5023]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [DyTh(ZnGa)2]
_chemical_formula_sum '[Dy1 Th1 Zn2 Ga2]'
_cell_volume [126.7382]
_cell_formula_units_Z [1]
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
[
  Dy  Dy0  1  0.0000  0.0000  0.5000  1
  Th  Th1  1  0.0000  0.0000  0.0000  1
  Zn  Zn2  2  0.3333  0.6667  0.2669  1
  Ga  Ga3  2  0.3333  0.6667  0.7374  1
]