data_[Mg16Sn2Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Sn  1.9600  1.4500  0.8300
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.8791]
_cell_length_b [4.4974]
_cell_length_c [6.8568]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.4576]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg8SnPt2]
_chemical_formula_sum '[Mg16 Sn2 Pt4]'
_cell_volume [449.2065]
_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  0.0263  0.0000  0.2431  1
  Mg  Mg1  4  0.1079  0.5000  0.9653  1
  Mg  Mg2  4  0.1789  0.5000  0.4394  1
  Mg  Mg3  4  0.1934  0.0000  0.7910  1
  Sn  Sn4  2  0.0000  0.5000  0.5000  1
  Pt  Pt5  4  0.1800  0.0000  0.1747  1
]