data_La3Te4Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.47
_cell_length_b   4.4
_cell_length_c   14.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3Te4Br
_chemical_formula_sum   'La12 Te16 Br4'
_cell_volume   1042.1
_cell_formula_units_Z   4
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  La4  1  0.28  0.1  0.06  1.0
  La  La5  1  0.16  0.3  0.3  1.0
  La  La6  1  0.19  0.3  0.6  1.0
  La  La7  1  0.96  0.3  0.59  1.0
  La  La8  1  0.39  0.3  0.89  1.0
  La  La9  1  0.04  0.1  0.13  1.0
  La  La10  1  0.43  0.3  0.25  1.0
  La  La11  1  0.08  0.1  0.49  1.0
  La  La12  1  0.51  0.1  0.79  1.0
  La  La13  1  0.28  0.1  0.78  1.0
  La  La14  1  0.31  0.1  0.08  1.0
  La  La15  1  0.19  0.3  0.32  1.0
  Te  Te16  1  0.8  0.3  0.69  1.0
  Te  Te17  1  0.19  0.1  0.16  1.0
  Te  Te18  1  0.63  0.1  0.62  1.0
  Te  Te19  1  0.4  0.1  0.2  1.0
  Te  Te20  1  0.63  0.1  0.99  1.0
  Te  Te21  1  0.4  0.1  0.57  1.0
  Te  Te22  1  0.43  0.1  0.03  1.0
  Te  Te23  1  0.57  0.3  0.5  1.0
  Te  Te24  1  0.9  0.1  0.88  1.0
  Te  Te25  1  0.04  0.3  0.35  1.0
  Te  Te26  1  0.07  0.3  0.81  1.0
  Te  Te27  1  0.84  0.3  0.39  1.0
  Te  Te28  1  0.07  0.3  0.18  1.0
  Te  Te29  1  0.84  0.3  0.76  1.0
  Te  Te30  1  0.28  0.3  0.22  1.0
  Te  Te31  1  0.67  0.1  0.69  1.0
  Br  Br0  1  0.35  0.3  0.91  1.0
  Br  Br1  1  0.11  0.3  0.28  1.0
  Br  Br2  1  0.36  0.1  0.1  1.0
  Br  Br3  1  0.12  0.1  0.47  1.0

data_La3Te4Br
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.4
_cell_length_b   14.38
_cell_length_c   16.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   La3Te4Br
_chemical_formula_sum   'La12 Te16 Br4'
_cell_volume   1042.1
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.1  0.06  0.19  1.0
  La  La1  2  0.1  0.11  0.92  1.0
  La  La2  2  0.1  0.13  0.96  1.0
  La  La3  2  0.1  0.4  0.72  1.0
  La  La4  2  0.1  0.41  0.96  1.0
  La  La5  2  0.1  0.7  0.16  1.0
  Te  Te6  2  0.1  0.03  0.04  1.0
  Te  Te7  2  0.1  0.16  0.81  1.0
  Te  Te8  2  0.1  0.2  0.6  1.0
  Te  Te9  2  0.1  0.31  0.33  1.0
  Te  Te10  2  0.1  0.5  0.57  1.0
  Te  Te11  2  0.1  0.57  0.6  1.0
  Te  Te12  2  0.1  0.62  0.84  1.0
  Te  Te13  2  0.1  0.99  0.84  1.0
  Br  Br14  2  0.1  0.09  0.88  1.0
  Br  Br15  2  0.1  0.72  0.11  1.0

La La La La La La La La La La La La Te Te Te Te Te Te Te Te Te Te Te Te Te Te Te Te Br Br Br Br