data_[Ac2B1Pd6Pt1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  B  2.0400  0.8500  0.4100
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.8176]
_cell_length_b [5.8176]
_cell_length_c [6.6475]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ac2BPd6Pt]
_chemical_formula_sum '[Ac2 B1 Pd6 Pt1]'
_cell_volume [194.8358]
_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
[
  Ac  Ac0  2  0.3333  0.6667  0.3412  1
  B  B1  1  0.0000  0.0000  0.0000  1
  Pd  Pd2  6  0.1749  0.3498  0.8238  1
  Pt  Pt3  1  0.0000  0.0000  0.5000  1
]