data_[Mg4B4Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  B  2.0400  0.8500  0.4100
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [9.7560]
_cell_length_b [5.6673]
_cell_length_c [5.6078]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.2024]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [MgBPt3]
_chemical_formula_sum '[Mg4 B4 Pt12]'
_cell_volume [289.0641]
_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  4  0.3181  0.3098  0.1909  1
  B  B1  4  0.1305  0.2502  0.4449  1
  Pt  Pt2  4  0.0607  0.0630  0.0948  1
  Pt  Pt3  4  0.0792  0.4235  0.7405  1
  Pt  Pt4  4  0.3391  0.1928  0.7206  1
]