data_[Sc12Zn4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Zn  1.6500  1.3500  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3161]
_cell_length_b [4.6662]
_cell_length_c [7.2494]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8951]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc3ZnO]
_chemical_formula_sum '[Sc12 Zn4 O4]'
_cell_volume [362.1648]
_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  4  0.0007  0.0000  0.7558  1.0
  Sc  Sc1  4  0.2110  0.5000  0.8572  1.0
  Sc  Sc2  4  0.2123  0.5000  0.3546  1.0
  Zn  Zn3  2  0.0000  0.5000  0.0000  1.0
  Zn  Zn4  2  0.0000  0.5000  0.5000  1.0
  O  O5  4  0.1938  0.0000  0.8470  1.0
]