data_[Al6Pt2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.8395]
_cell_length_b [7.8398]
_cell_length_c [4.7637]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0545]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Al3Pt]
_chemical_formula_sum '[Al6 Pt2]'
_cell_volume [132.9005]
_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  0.1442  0.0459  0.2836  1.0
  Al  Al1  2  0.4104  0.2500  0.8659  1.0
  Pt  Pt2  2  0.2869  0.7500  0.5569  1.0
]