data_[Zn12In8Si4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  In  1.7800  1.5500  0.9400
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.3344]
_cell_length_b [10.0469]
_cell_length_c [8.6992]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Zn3In2Si]
_chemical_formula_sum '[Zn12 In8 Si4]'
_cell_volume [466.2286]
_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
[
  Zn  Zn0  8  0.2469  0.4131  0.2500  1
  Zn  Zn1  4  0.0000  0.1737  0.2500  1
  In  In2  8  0.0000  0.3388  0.5653  1
  Si  Si3  4  0.0000  0.0000  0.0000  1
]