data_[Na1Ac1Si1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ac  1.1000  1.9500  1.2600
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.9150]
_cell_length_b [4.9150]
_cell_length_c [4.1629]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [NaAcSi]
_chemical_formula_sum '[Na1 Ac1 Si1]'
_cell_volume [87.0901]
_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
[
  Na  Na0  1  0.3333  0.6667  0.2113  1
  Ac  Ac1  1  0.6667  0.3333  0.7029  1
  Si  Si2  1  0.0000  0.0000  0.0858  1
]