data_[Tm9Np3Fe24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Np  1.3600  1.7500  1.0000
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.1311]
_cell_length_b [5.1311]
_cell_length_c [24.3859]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Tm3NpFe8]
_chemical_formula_sum '[Tm9 Np3 Fe24]'
_cell_volume [556.0286]
_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
[
  Tm  Tm0  3  0.0000  0.0000  0.3755  1
  Tm  Tm1  3  0.0000  0.0000  0.5021  1
  Tm  Tm2  3  0.0000  0.0000  0.9986  1
  Np  Np3  3  0.0000  0.0000  0.8658  1
  Fe  Fe4  9  0.0010  0.5005  0.9378  1
  Fe  Fe5  9  0.1678  0.3356  0.7724  1
  Fe  Fe6  3  0.0000  0.0000  0.1891  1
  Fe  Fe7  3  0.0000  0.0000  0.6882  1
]