data_[Sr1Sb2S4]
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 [P1]
_cell_length_a [5.9144]
_cell_length_b [6.0347]
_cell_length_c [6.1791]
_cell_angle_alpha [100.2061]
_cell_angle_beta [107.1976]
_cell_angle_gamma [94.2600]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Sr(SbS2)2]
_chemical_formula_sum '[Sr1 Sb2 S4]'
_cell_volume [205.4590]
_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  0.2032  0.7422  0.4465  1.0
  Sb  Sb1  1  0.4284  0.4293  0.0094  1.0
  Sb  Sb2  1  0.7661  0.2595  0.5657  1.0
  S  S3  1  0.1870  0.2555  0.5487  1.0
  S  S4  1  0.3618  0.8084  0.9739  1.0
  S  S5  1  0.7071  0.6339  0.4688  1.0
  S  S6  1  0.8463  0.3713  0.9871  1.0
]