data_[Sr2Zn2Se1S1O2]
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
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.9738]
_cell_length_b [3.9738]
_cell_length_c [11.8074]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Sr2Zn2SeSO2]
_chemical_formula_sum '[Sr2 Zn2 Se1 S1 O2]'
_cell_volume [161.4680]
_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
[
  Sr  Sr0  1  0.0000  0.0000  0.7199  1
  Sr  Sr1  1  0.3333  0.6667  0.2308  1
  Zn  Zn2  1  0.6667  0.3333  0.0057  1
  Zn  Zn3  1  0.6667  0.3333  0.4954  1
  Se  Se4  1  0.3333  0.6667  0.9226  1
  S  S5  1  0.0000  0.0000  0.4251  1
  O  O6  1  0.6667  0.3333  0.1677  1
  O  O7  1  0.6667  0.3333  0.6573  1
]