data_[Tm2Mg1Sn4]
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 [P-4m2]
_cell_length_a [4.3520]
_cell_length_b [4.3520]
_cell_length_c [9.9741]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Tm2MgSn4]
_chemical_formula_sum '[Tm2 Mg1 Sn4]'
_cell_volume [188.9036]
_cell_formula_units_Z [1]
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  2  0.0000  0.5000  0.2530  1
  Mg  Mg1  1  0.5000  0.5000  0.0000  1
  Sn  Sn2  2  0.0000  0.5000  0.8062  1
  Sn  Sn3  1  0.0000  0.0000  0.5000  1
  Sn  Sn4  1  0.5000  0.5000  0.5000  1
]