data_[Tm9Mg3Ni24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Mg  1.3100  1.5000  0.8600
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.9570]
_cell_length_b [4.9570]
_cell_length_c [24.3465]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Tm3MgNi8]
_chemical_formula_sum '[Tm9 Mg3 Ni24]'
_cell_volume [518.0916]
_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  0.0049  1.0
  Tm  Tm1  3  0.0000  0.0000  0.4959  1.0
  Tm  Tm2  3  0.0000  0.0000  0.6234  1.0
  Mg  Mg3  3  0.0000  0.0000  0.1271  1.0
  Ni  Ni4  9  0.1672  0.3343  0.8953  1.0
  Ni  Ni5  9  0.1678  0.3356  0.3961  1.0
  Ni  Ni6  3  0.0000  0.0000  0.3123  1.0
  Ni  Ni7  3  0.0000  0.0000  0.8121  1.0
]