data_[Sr4Sb12]
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 [10.4596]
_cell_length_b [8.4665]
_cell_length_c [6.4049]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.1663]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrSb3]
_chemical_formula_sum '[Sr4 Sb12]'
_cell_volume [525.2704]
_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  4  0.1647  0.5000  0.3150  1
  Sb  Sb1  8  0.1370  0.2852  0.7869  1
  Sb  Sb2  4  0.0218  0.0000  0.2362  1
]