data_[Ac2Zn3In5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Zn  1.6500  1.3500  0.8800
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.7470]
_cell_length_b [4.7470]
_cell_length_c [11.4362]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Ac2Zn3In5]
_chemical_formula_sum '[Ac2 Zn3 In5]'
_cell_volume [257.7016]
_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  0.0000  0.5000  0.7291  1
  Zn  Zn1  2  0.0000  0.5000  0.3877  1
  Zn  Zn2  1  0.0000  0.0000  0.5000  1
  In  In3  2  0.0000  0.5000  0.1582  1
  In  In4  1  0.0000  0.0000  0.0000  1
  In  In5  1  0.5000  0.5000  0.0000  1
  In  In6  1  0.5000  0.5000  0.5000  1
]