data_[Sr18Sb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.8911]
_cell_length_b [5.3034]
_cell_length_c [12.3602]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.0439]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3Sb2]
_chemical_formula_sum '[Sr18 Sb12]'
_cell_volume [1231.4541]
_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  4  0.0201  0.5000  0.6607  1.0
  Sr  Sr1  4  0.1371  0.0000  0.3012  1.0
  Sr  Sr2  4  0.1718  0.0000  0.9816  1.0
  Sr  Sr3  4  0.1963  0.0000  0.6377  1.0
  Sr  Sr4  2  0.0000  0.5000  0.0000  1.0
  Sb  Sb5  4  0.0329  0.0000  0.8119  1.0
  Sb  Sb6  4  0.1440  0.5000  0.4884  1.0
  Sb  Sb7  4  0.1785  0.5000  0.1412  1.0
]