data_[Sr6Zn6]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.9115]
_cell_length_b [4.4298]
_cell_length_c [8.5808]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.7528]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SrZn]
_chemical_formula_sum '[Sr6 Zn6]'
_cell_volume [414.4167]
_cell_formula_units_Z [6]
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  2  0.1061  0.0000  0.0497  1.0
  Sr  Sr1  2  0.2787  0.0000  0.6876  1.0
  Sr  Sr2  2  0.4624  0.0000  0.3392  1.0
  Zn  Zn3  2  0.0857  0.5000  0.7563  1.0
  Zn  Zn4  2  0.2560  0.5000  0.3670  1.0
  Zn  Zn5  2  0.4778  0.5000  0.6336  1.0
]