data_[Na2Ca6Ac1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  Ac  1.1000  1.9500  1.2600
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.8813]
_cell_length_b [3.8813]
_cell_length_c [29.0160]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Na2Ca6Ac]
_chemical_formula_sum '[Na2 Ca6 Ac1]'
_cell_volume [378.5553]
_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  2  0.3333  0.6667  0.3307  1
  Ca  Ca1  2  0.0000  0.0000  0.2221  1
  Ca  Ca2  2  0.0000  0.0000  0.4382  1
  Ca  Ca3  2  0.3333  0.6667  0.8873  1
  Ac  Ac4  1  0.0000  0.0000  0.0000  1
]