data_[Ta6Pd4Pt6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8001]
_cell_length_b [4.5743]
_cell_length_c [4.8501]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7785]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta3Pd2Pt3]
_chemical_formula_sum '[Ta6 Pd4 Pt6]'
_cell_volume [263.7092]
_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
[
  Ta  Ta0  4  0.1372  0.0000  0.7047  1
  Ta  Ta1  2  0.0000  0.0000  0.0000  1
  Pd  Pd2  4  0.2486  0.5000  0.6761  1
  Pt  Pt3  4  0.1300  0.5000  0.0769  1
  Pt  Pt4  2  0.0000  0.5000  0.5000  1
]