data_[Mg3Tl1Sn1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2737]
_cell_length_b [5.3051]
_cell_length_c [5.3258]
_cell_angle_alpha [116.2525]
_cell_angle_beta [96.2553]
_cell_angle_gamma [92.6758]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Mg3TlSn]
_chemical_formula_sum '[Mg3 Tl1 Sn1]'
_cell_volume [132.0822]
_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
[
  Mg  Mg0  1  0.2907  0.2331  0.8780  1
  Mg  Mg1  1  0.7799  0.9544  0.9620  1
  Mg  Mg2  1  0.8461  0.6278  0.3191  1
  Tl  Tl3  1  0.3098  0.8745  0.1974  1
  Sn  Sn4  1  0.7754  0.3082  0.6456  1
]