data_[Al2Ga2Pt12]
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 [7.5671]
_cell_length_b [5.4341]
_cell_length_c [7.1782]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9829]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AlGaPt6]
_chemical_formula_sum '[Al2 Ga2 Pt12]'
_cell_volume [273.7111]
_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  0.5000  1
  Ga  Ga1  2  0.0000  0.0000  0.0000  1
  Pt  Pt2  8  0.2043  0.2604  0.3036  1
  Pt  Pt3  4  0.1512  0.5000  0.9395  1
]