data_[Mg16Tl4Pt2]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.1171]
_cell_length_b [4.8447]
_cell_length_c [6.8129]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.7345]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg8Tl2Pt]
_chemical_formula_sum '[Mg16 Tl4 Pt2]'
_cell_volume [483.1616]
_cell_formula_units_Z [2]
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  4  0.0024  0.0000  0.7724  1.0
  Mg  Mg1  4  0.1286  0.5000  0.3963  1.0
  Mg  Mg2  4  0.1356  0.5000  0.8806  1.0
  Mg  Mg3  4  0.1819  0.0000  0.1909  1.0
  Tl  Tl4  4  0.1805  0.0000  0.6801  1.0
  Pt  Pt5  2  0.0000  0.5000  0.0000  1.0
]