data_[Al16Ga4Pt2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.1422]
_cell_length_b [4.3087]
_cell_length_c [5.6650]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0228]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al8Ga2Pt]
_chemical_formula_sum '[Al16 Ga4 Pt2]'
_cell_volume [386.7373]
_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  4  0.0089  0.0000  0.2657  1
  Al  Al1  4  0.1213  0.5000  0.7815  1
  Al  Al2  4  0.1412  0.5000  0.2935  1
  Al  Al3  4  0.2072  0.0000  0.0689  1
  Ga  Ga4  4  0.1780  0.0000  0.5715  1
  Pt  Pt5  2  0.0000  0.5000  0.0000  1
]