data_[Th2Ga14Fe4]
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 [Cmmm]
_cell_length_a [8.5815]
_cell_length_b [10.2073]
_cell_length_c [4.4722]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [ThGa7Fe2]
_chemical_formula_sum '[Th2 Ga14 Fe4]'
_cell_volume [391.7394]
_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  0.0000  0.0000  0.0000  1
  Ga  Ga1  8  0.2279  0.1283  0.5000  1
  Ga  Ga2  4  0.0000  0.3082  0.0000  1
  Ga  Ga3  2  0.0000  0.5000  0.5000  1
  Fe  Fe4  4  0.0000  0.2659  0.5000  1
]