data_[Tm18Mg24]
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
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [13.9627]
_cell_length_b [13.9627]
_cell_length_c [6.4802]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Tm3Mg4]
_chemical_formula_sum '[Tm18 Mg24]'
_cell_volume [1094.1135]
_cell_formula_units_Z [6]
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  18  0.0457  0.8073  0.6661  1.0
  Mg  Mg1  18  0.0459  0.8144  0.1612  1.0
  Mg  Mg2  3  0.0000  0.0000  0.0000  1.0
  Mg  Mg3  3  0.0000  0.0000  0.5000  1.0
]