data_[Sc4Al4Zn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Al  1.6100  1.2500  0.6750
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.0793]
_cell_length_b [4.1154]
_cell_length_c [12.8617]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [ScAlZn]
_chemical_formula_sum '[Sc4 Al4 Zn4]'
_cell_volume [215.9240]
_cell_formula_units_Z [4]
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
[
  Sc  Sc0  2  0.0000  0.0000  0.6716  1.0
  Sc  Sc1  2  0.0000  0.0000  0.9877  1.0
  Al  Al2  2  0.5000  0.0000  0.4918  1.0
  Al  Al3  2  0.5000  0.0000  0.8301  1.0
  Zn  Zn4  2  0.0000  0.0000  0.3282  1.0
  Zn  Zn5  2  0.5000  0.0000  0.1653  1.0
]