data_[K2Ac2As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ac  1.1000  1.9500  1.2600
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.1678]
_cell_length_b [4.1678]
_cell_length_c [15.2916]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [KAcAs]
_chemical_formula_sum '[K2 Ac2 As2]'
_cell_volume [265.6242]
_cell_formula_units_Z [2]
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
[
  K  K0  2  0.0000  0.0000  0.0275  1
  Ac  Ac1  2  0.0000  0.0000  0.2690  1
  As  As2  2  0.0000  0.0000  0.7036  1
]