data_[Al1Mo2Pt1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Mo  2.1600  1.4500  0.7750
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.7305]
_cell_length_b [3.9988]
_cell_length_c [5.6889]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [AlMo2Pt]
_chemical_formula_sum '[Al1 Mo2 Pt1]'
_cell_volume [62.1145]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.7409  1
  Mo  Mo1  1  0.0000  0.0000  0.0015  1
  Mo  Mo2  1  0.5000  0.5000  0.2391  1
  Pt  Pt3  1  0.0000  0.0000  0.5185  1
]