data_[Th2Ga6Tc2]
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 [P2_1/m]
_cell_length_a [4.8646]
_cell_length_b [6.1634]
_cell_length_c [6.5083]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7685]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ThGa3Tc]
_chemical_formula_sum '[Th2 Ga6 Tc2]'
_cell_volume [195.1174]
_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  0.3193  0.2500  0.6910  1
  Ga  Ga1  4  0.1734  0.0409  0.1673  1
  Ga  Ga2  2  0.1845  0.7500  0.5702  1
  Tc  Tc3  2  0.3706  0.7500  0.9245  1
]