data_[Mg4Si4Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Si  1.9000  1.1000  0.5400
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.6938]
_cell_length_b [5.5769]
_cell_length_c [7.4438]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.1149]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MgSiPt3]
_chemical_formula_sum '[Mg4 Si4 Pt12]'
_cell_volume [340.8450]
_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
[
  Mg  Mg0  2  0.0683  0.5000  0.5352  1.0
  Mg  Mg1  2  0.2080  0.5000  0.1770  1.0
  Si  Si2  2  0.0885  0.0000  0.3989  1.0
  Si  Si3  2  0.4604  0.5000  0.8669  1.0
  Pt  Pt4  4  0.3328  0.2499  0.5669  1.0
  Pt  Pt5  4  0.4241  0.2436  0.0979  1.0
  Pt  Pt6  2  0.1501  0.0000  0.7486  1.0
  Pt  Pt7  2  0.2214  0.0000  0.1815  1.0
]