data_[La8Te2Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Te  2.1000  1.4000  1.2933
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.5679]
_cell_length_b [4.1844]
_cell_length_c [9.2022]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.6369]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La4TeBr5]
_chemical_formula_sum '[La8 Te2 Br10]'
_cell_volume [704.8730]
_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  4  0.0014  0.0000  0.2467  1
  La  La1  4  0.1704  0.5000  0.0687  1
  Te  Te2  2  0.0000  0.5000  0.0000  1
  Br  Br3  4  0.1665  0.0000  0.8087  1
  Br  Br4  4  0.1675  0.0000  0.3171  1
  Br  Br5  2  0.0000  0.5000  0.5000  1
]