data_[Ba3Sr3Zn1In2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [P-62m]
_cell_length_a [9.7704]
_cell_length_b [9.7704]
_cell_length_c [4.6287]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Ba3Sr3ZnIn2]
_chemical_formula_sum '[Ba3 Sr3 Zn1 In2]'
_cell_volume [382.6628]
_cell_formula_units_Z [1]
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
[
  Ba  Ba0  3  0.0000  0.2546  0.5000  1.0
  Sr  Sr1  3  0.0000  0.5887  0.0000  1.0
  Zn  Zn2  1  0.0000  0.0000  0.0000  1.0
  In  In3  2  0.3333  0.6667  0.5000  1.0
]