data_[Ac8Zn8In8]
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 [Pmmn]
_cell_length_a [4.9748]
_cell_length_b [16.2177]
_cell_length_c [8.2823]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [AcZnIn]
_chemical_formula_sum '[Ac8 Zn8 In8]'
_cell_volume [668.2064]
_cell_formula_units_Z [8]
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  4  0.0000  0.2470  0.7843  1
  Ac  Ac1  2  0.0000  0.0000  0.7156  1
  Ac  Ac2  2  0.0000  0.5000  0.7136  1
  Zn  Zn3  4  0.0000  0.0911  0.0849  1
  Zn  Zn4  4  0.0000  0.3447  0.4169  1
  In  In5  4  0.0000  0.1491  0.4094  1
  In  In6  4  0.0000  0.3975  0.0870  1
]