data_[Tm16Mg16Ge16]
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
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [8.1208]
_cell_length_b [11.8507]
_cell_length_c [12.2106]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [TmMgGe]
_chemical_formula_sum '[Tm16 Mg16 Ge16]'
_cell_volume [1175.1226]
_cell_formula_units_Z [16]
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  16  0.1250  0.1250  0.6250  1
  Mg  Mg1  16  0.0000  0.0000  0.1246  1
  Ge  Ge2  16  0.0000  0.1879  0.0000  1
]