data_[La2S2Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.0159]
_cell_length_b [5.0445]
_cell_length_c [6.6029]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5182]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LaSBr2]
_chemical_formula_sum '[La2 S2 Br4]'
_cell_volume [261.6165]
_cell_formula_units_Z [2]
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  2  0.3503  0.0000  0.2427  1
  S  S1  2  0.0192  0.0000  0.3470  1
  Br  Br2  2  0.1673  0.5000  0.0160  1
  Br  Br3  2  0.3172  0.0000  0.6803  1
]