data_[Th4Fe6Re2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Fe  1.8300  1.4000  0.8525
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.5238]
_cell_length_b [5.5238]
_cell_length_c [7.8144]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [Th2Fe3Re]
_chemical_formula_sum '[Th4 Fe6 Re2]'
_cell_volume [206.4890]
_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  0.3333  0.6667  0.4453  1
  Fe  Fe1  6  0.1618  0.3236  0.7500  1
  Re  Re2  2  0.0000  0.0000  0.0000  1
]