data_[Al2Ge2Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Ge  2.0100  1.2500  0.7700
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.9952]
_cell_length_b [5.6605]
_cell_length_c [6.4182]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.1186]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AlGePt6]
_chemical_formula_sum '[Al2 Ge2 Pt12]'
_cell_volume [251.2495]
_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
[
  Al  Al0  2  0.0000  0.5000  0.0000  1
  Ge  Ge1  2  0.0000  0.0000  0.0000  1
  Pt  Pt2  8  0.1020  0.2489  0.7589  1
  Pt  Pt3  4  0.2456  0.5000  0.4969  1
]