data_[Ac3Ni6Sn2Ge1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.0902]
_cell_length_b [6.0902]
_cell_length_c [8.1529]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ac3Ni6Sn2Ge]
_chemical_formula_sum '[Ac3 Ni6 Sn2 Ge1]'
_cell_volume [261.8827]
_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  0.6998  1
  Ac  Ac1  1  0.0000  0.0000  0.0000  1
  Ni  Ni2  6  0.1958  0.3917  0.3754  1
  Sn  Sn3  2  0.3333  0.6667  0.1143  1
  Ge  Ge4  1  0.0000  0.0000  0.5000  1
]