data_[Mg9Zn21Pt6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.1682]
_cell_length_b [5.1682]
_cell_length_c [26.0709]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Mg3Zn7Pt2]
_chemical_formula_sum '[Mg9 Zn21 Pt6]'
_cell_volume [603.0619]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1463  1.0
  Mg  Mg1  3  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  18  0.0029  0.5014  0.9169  1.0
  Zn  Zn3  3  -0.0000  -0.0000  0.5000  1.0
  Pt  Pt4  6  0.0000  0.0000  0.3337  1.0
]