data_[Sc3Ta9Fe24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ta  1.5000  1.4500  0.8200
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.8443]
_cell_length_b [4.8443]
_cell_length_c [23.7211]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [ScTa3Fe8]
_chemical_formula_sum '[Sc3 Ta9 Fe24]'
_cell_volume [482.0823]
_cell_formula_units_Z [3]
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
[
  Sc  Sc0  3  0.0000  0.0000  0.1251  1
  Ta  Ta1  3  0.0000  0.0000  0.5006  1
  Ta  Ta2  3  0.0000  0.0000  0.6250  1
  Ta  Ta3  3  0.0000  0.0000  0.9994  1
  Fe  Fe4  9  0.0012  0.5006  0.5634  1
  Fe  Fe5  9  0.1667  0.3335  0.3949  1
  Fe  Fe6  3  0.0000  0.0000  0.3122  1
  Fe  Fe7  3  0.0000  0.0000  0.8128  1
]