data_[Li4Ac2As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ac  1.1000  1.9500  1.2600
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.5023]
_cell_length_b [4.5023]
_cell_length_c [10.3004]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [Li2AcAs2]
_chemical_formula_sum '[Li4 Ac2 As4]'
_cell_volume [208.7971]
_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
[
  Li  Li0  2  0.0000  0.0000  0.5000  1
  Li  Li1  2  0.0000  0.5000  0.1146  1
  Ac  Ac2  2  0.0000  0.5000  0.7623  1
  As  As3  2  0.0000  0.0000  0.0000  1
  As  As4  2  0.0000  0.5000  0.3574  1
]