data_[Th2Be10Fe14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Be  1.5700  1.0500  0.5900
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.4824]
_cell_length_b [8.0078]
_cell_length_c [8.1597]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [ThBe5Fe7]
_chemical_formula_sum '[Th2 Be10 Fe14]'
_cell_volume [292.8859]
_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  0.0006  1
  Be  Be1  8  0.2498  0.2462  0.7521  1
  Be  Be2  2  0.0000  0.5000  0.2570  1
  Fe  Fe3  4  0.0000  0.2732  0.5030  1
  Fe  Fe4  4  0.0000  0.3573  0.9991  1
  Fe  Fe5  2  0.0000  0.0000  0.3575  1
  Fe  Fe6  2  0.0000  0.0000  0.6402  1
  Fe  Fe7  2  0.0000  0.5000  0.7322  1
]