data_[Sr12Zn8In12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Zn  1.6500  1.3500  0.8800
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.8598]
_cell_length_b [11.8447]
_cell_length_c [16.4536]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sr3Zn2In3]
_chemical_formula_sum '[Sr12 Zn8 In12]'
_cell_volume [947.1204]
_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
[
  Sr  Sr0  8  0.0000  0.0912  0.6075  1.0
  Sr  Sr1  4  0.0000  0.3747  0.7500  1.0
  Zn  Zn2  8  0.0000  0.2043  0.1004  1.0
  In  In3  8  0.0000  0.3775  0.5378  1.0
  In  In4  4  0.0000  0.3313  0.2500  1.0
]