data_[Tm16Mg8In24]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [6.8634]
_cell_length_b [9.9998]
_cell_length_c [17.3164]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Tm2MgIn3]
_chemical_formula_sum '[Tm16 Mg8 In24]'
_cell_volume [1188.4703]
_cell_formula_units_Z [8]
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  8  0.2495  0.0000  0.0000  1.0
  Tm  Tm1  8  0.2500  0.2500  0.2500  1.0
  Mg  Mg2  8  0.0000  0.0000  0.3327  1.0
  In  In3  16  0.0000  0.2467  0.4151  1.0
  In  In4  8  0.0000  0.0000  0.1686  1.0
]