data_[Th12Tc4Sb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Tc  1.9000  1.3500  0.7417
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.5672]
_cell_length_b [4.4783]
_cell_length_c [14.9806]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Th3TcSb]
_chemical_formula_sum '[Th12 Tc4 Sb4]'
_cell_volume [574.7487]
_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  0.0293  0.7500  0.3949  1
  Th  Th1  4  0.1453  0.7500  0.9939  1
  Th  Th2  4  0.1866  0.2500  0.2211  1
  Tc  Tc3  4  0.1797  0.7500  0.5646  1
  Sb  Sb4  4  0.0893  0.2500  0.8232  1
]