data_[La6Te2Os2Br2]
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
  Os  2.2000  1.3000  0.6730
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.2042]
_cell_length_b [4.3666]
_cell_length_c [10.9657]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.2145]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La3TeOsBr]
_chemical_formula_sum '[La6 Te2 Os2 Br2]'
_cell_volume [392.2228]
_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  0.0539  0.2500  0.2078  1.0
  La  La1  2  0.2104  0.7500  0.5051  1.0
  La  La2  2  0.3563  0.2500  0.8001  1.0
  Te  Te3  2  0.4242  0.2500  0.3311  1.0
  Os  Os4  2  0.0855  0.2500  0.6655  1.0
  Br  Br5  2  0.2449  0.7500  0.9980  1.0
]