data_[Th6Zn12Ga10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Pmmn]
_cell_length_a [4.2971]
_cell_length_b [12.7427]
_cell_length_c [10.0225]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Th3Zn6Ga5]
_chemical_formula_sum '[Th6 Zn12 Ga10]'
_cell_volume [548.8058]
_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  4  0.0000  0.3208  0.7509  1
  Th  Th1  2  0.0000  0.0000  0.7491  1
  Zn  Zn2  4  0.0000  0.1485  0.0145  1
  Zn  Zn3  4  0.0000  0.3351  0.3823  1
  Zn  Zn4  2  0.0000  0.5000  0.5282  1
  Zn  Zn5  2  0.0000  0.5000  0.9767  1
  Ga  Ga6  4  0.0000  0.1401  0.4785  1
  Ga  Ga7  4  0.0000  0.3368  0.1277  1
  Ga  Ga8  2  0.0000  0.0000  0.2179  1
]