data_[La4Ru1S1Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ru  2.2000  1.3000  0.6610
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.4579]
_cell_length_b [4.1206]
_cell_length_c [7.9145]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4272]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [La4RuSBr2]
_chemical_formula_sum '[La4 Ru1 S1 Br2]'
_cell_volume [233.2903]
_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
[
  La  La0  2  0.2409  0.5000  0.2026  1.0
  La  La1  2  0.2781  0.0000  0.7976  1.0
  Ru  Ru2  1  0.5000  0.5000  0.0000  1.0
  S  S3  1  0.0000  0.0000  0.0000  1.0
  Br  Br4  1  0.0000  0.5000  0.5000  1.0
  Br  Br5  1  0.5000  0.0000  0.5000  1.0
]