data_[Tb18Mn18Mo18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Mn  1.5500  1.4000  0.6483
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.3931]
_cell_length_b [5.3931]
_cell_length_c [39.8681]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [TbMnMo]
_chemical_formula_sum '[Tb18 Mn18 Mo18]'
_cell_volume [1004.2430]
_cell_formula_units_Z [18]
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
[
  Tb  Tb0  6  0.0000  0.0000  0.0391  1
  Tb  Tb1  6  0.0000  0.0000  0.1807  1
  Tb  Tb2  6  0.0000  0.0000  0.2672  1
  Mn  Mn3  9  0.0000  0.5000  0.0000  1
  Mn  Mn4  6  0.0000  0.0000  0.3825  1
  Mn  Mn5  3  -0.0000  -0.0000  0.5000  1
  Mo  Mo6  18  0.0014  0.5007  0.7752  1
]