data_[La12Te2P4Br6]
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
  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 [19.1871]
_cell_length_b [4.3220]
_cell_length_c [8.9099]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0121]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6TeP2Br3]
_chemical_formula_sum '[La12 Te2 P4 Br6]'
_cell_volume [719.8992]
_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  0.0177  0.0000  0.2624  1.0
  La  La1  4  0.1692  0.5000  0.1235  1.0
  La  La2  4  0.1744  0.5000  0.5599  1.0
  Te  Te3  2  0.0000  0.5000  0.0000  1.0
  P  P4  4  0.1715  0.0000  0.3384  1.0
  Br  Br5  4  0.1621  0.0000  0.8340  1.0
  Br  Br6  2  0.0000  0.5000  0.5000  1.0
]