data_[Th12Ga16Tc8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Ga  1.8100  1.3000  0.7600
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.0650]
_cell_length_b [11.1385]
_cell_length_c [6.8320]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0694]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Th3(Ga2Tc)2]
_chemical_formula_sum '[Th12 Ga16 Tc8]'
_cell_volume [826.3679]
_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  8  0.1526  0.1349  0.6617  1
  Th  Th1  4  0.0000  0.4026  0.2500  1
  Ga  Ga2  8  0.1100  0.1513  0.1199  1
  Ga  Ga3  8  0.1871  0.4143  0.6453  1
  Tc  Tc4  8  0.1711  0.3664  0.0109  1
]