data_[La12Tl2P4Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tl  1.6200  1.9000  1.3325
  P  2.1900  1.0000  0.5500
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.4252]
_cell_length_b [4.2915]
_cell_length_c [9.0632]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3095]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6TlP2Br3]
_chemical_formula_sum '[La12 Tl2 P4 Br6]'
_cell_volume [732.0994]
_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  0.0150  0.0000  0.2628  1.0
  La  La1  4  0.1686  0.5000  0.1244  1.0
  La  La2  4  0.1760  0.5000  0.5639  1.0
  Tl  Tl3  2  0.0000  0.5000  0.0000  1.0
  P  P4  4  0.1697  0.0000  0.3418  1.0
  Br  Br5  4  0.1635  0.0000  0.8356  1.0
  Br  Br6  2  0.0000  0.5000  0.5000  1.0
]