data_[Sr4Sb4S12]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.4124]
_cell_length_b [5.3610]
_cell_length_c [7.4770]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3854]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrSbS3]
_chemical_formula_sum '[Sr4 Sb4 S12]'
_cell_volume [579.1027]
_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  0.1279  0.5000  0.3224  1
  Sb  Sb1  4  0.1600  0.0000  0.8875  1
  S  S2  4  0.0333  0.0000  0.1503  1
  S  S3  4  0.1559  0.5000  0.9398  1
  S  S4  4  0.1669  0.0000  0.5623  1
]