data_[Tm4Mg4Sn12]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [13.0321]
_cell_length_b [6.1623]
_cell_length_c [6.2612]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [TmMgSn3]
_chemical_formula_sum '[Tm4 Mg4 Sn12]'
_cell_volume [502.8216]
_cell_formula_units_Z [4]
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  4  0.3126  0.0041  0.2500  1
  Mg  Mg1  4  0.1134  0.2500  0.0000  1
  Sn  Sn2  4  0.0842  0.6973  0.7500  1
  Sn  Sn3  4  0.2720  0.5062  0.2500  1
  Sn  Sn4  4  0.4994  0.7500  0.0000  1
]