data_[La2Sn2Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [17.3037]
_cell_length_b [4.3130]
_cell_length_c [19.3045]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [LaSnBr5]
_chemical_formula_sum '[La2 Sn2 Br10]'
_cell_volume [1440.7188]
_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  0.2500  0.5000  0.5078  1
  Sn  Sn1  2  0.0000  0.0000  0.5000  1
  Br  Br2  4  0.0826  0.5000  0.5785  1
  Br  Br3  4  0.1526  0.0000  0.4256  1
  Br  Br4  2  0.2500  0.0000  0.6115  1
]