data_[Ac3Ge1P2Pt6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ge  2.0100  1.2500  0.7700
  P  2.1900  1.0000  0.5500
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.7669]
_cell_length_b [5.7669]
_cell_length_c [9.7852]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ac3Ge(PPt3)2]
_chemical_formula_sum '[Ac3 Ge1 P2 Pt6]'
_cell_volume [281.8328]
_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  0.5975  1
  Ac  Ac1  1  0.0000  0.0000  0.0000  1
  Ge  Ge2  1  0.0000  0.0000  0.5000  1
  P  P3  2  0.3333  0.6667  0.1141  1
  Pt  Pt4  6  0.1657  0.8343  0.2847  1
]