data_[Th8Ga4Fe4]
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
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [6.1799]
_cell_length_b [5.8438]
_cell_length_c [10.8053]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5656]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [Th2GaFe]
_chemical_formula_sum '[Th8 Ga4 Fe4]'
_cell_volume [374.0296]
_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  0.1746  0.3295  0.1232  1
  Th  Th1  4  0.2906  0.1444  0.8350  1
  Ga  Ga2  4  0.3470  0.3500  0.4338  1
  Fe  Fe3  4  0.1429  0.1604  0.5830  1
]