data_[La4Ce4Sb8S16Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ce  1.1200  1.8500  1.0800
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.7611]
_cell_length_b [9.3550]
_cell_length_c [17.5777]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2644]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LaCeSb2(SBr)4]
_chemical_formula_sum '[La4 Ce4 Sb8 S16 Br16]'
_cell_volume [1396.2550]
_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
[
  La  La0  4  0.1224  0.1315  0.2440  1
  Ce  Ce1  4  0.3878  0.6368  0.2633  1
  Sb  Sb2  4  0.2699  0.5431  0.5466  1
  Sb  Sb3  4  0.2740  0.1584  0.5548  1
  S  S4  4  0.0733  0.1498  0.0526  1
  S  S5  4  0.3385  0.5629  0.6903  1
  S  S6  4  0.3402  0.1641  0.6976  1
  S  S7  4  0.4757  0.1512  0.0540  1
  Br  Br8  4  0.0796  0.6291  0.1340  1
  Br  Br9  4  0.1582  0.6741  0.8339  1
  Br  Br10  4  0.1623  0.0579  0.8400  1
  Br  Br11  4  0.4453  0.1268  0.3711  1
]