data_[Ta1Al4Pt5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Al  1.6100  1.2500  0.6750
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [2.8347]
_cell_length_b [3.2269]
_cell_length_c [16.5185]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [TaAl4Pt5]
_chemical_formula_sum '[Ta1 Al4 Pt5]'
_cell_volume [151.1000]
_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
[
  Ta  Ta0  1  0.0000  0.0000  0.0000  1
  Al  Al1  2  0.0000  0.0000  0.2083  1
  Al  Al2  2  0.0000  0.0000  0.4024  1
  Pt  Pt3  2  0.5000  0.5000  0.1144  1
  Pt  Pt4  2  0.5000  0.5000  0.3047  1
  Pt  Pt5  1  0.5000  0.5000  0.5000  1
]