data_BaLaCuTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.99
_cell_length_b   4.55
_cell_length_c   15.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLaCuTe3
_chemical_formula_sum   'Ba4 La4 Cu4 Te12'
_cell_volume   818.49
_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
  Ba  Ba0  1  0.29  0.14  0.48  1.0
  Ba  Ba1  1  0.7  0.41  0.53  1.0
  Ba  Ba2  1  0.3  0.14  0.02  1.0
  Ba  Ba3  1  0.69  0.41  0.98  1.0
  La  La4  1  0.2  0.14  0.13  1.0
  La  La5  1  0.79  0.41  0.87  1.0
  La  La6  1  0.21  0.14  0.38  1.0
  La  La7  1  0.78  0.41  0.63  1.0
  Cu  Cu8  1  0.13  0.41  0.79  1.0
  Cu  Cu9  1  0.85  0.14  0.29  1.0
  Cu  Cu10  1  0.13  0.41  0.72  1.0
  Cu  Cu11  1  0.86  0.14  0.21  1.0
  Te  Te12  1  0.15  0.14  0.32  1.0
  Te  Te13  1  0.84  0.41  0.68  1.0
  Te  Te14  1  0.15  0.14  0.19  1.0
  Te  Te15  1  0.83  0.41  0.82  1.0
  Te  Te16  1  0.88  0.14  0.57  1.0
  Te  Te17  1  0.1  0.41  0.08  1.0
  Te  Te18  1  0.88  0.14  0.93  1.0
  Te  Te19  1  0.11  0.41  0.43  1.0
  Te  Te20  1  0.33  0.41  0.25  1.0
  Te  Te21  1  0.66  0.14  0.75  1.0
  Te  Te22  1  0.34  0.41  0.26  1.0
  Te  Te23  1  0.65  0.14  0.75  1.0

data_BaLaCuTe3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.55
_cell_length_b   11.99
_cell_length_c   15.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   BaLaCuTe3
_chemical_formula_sum   'Ba4 La4 Cu4 Te12'
_cell_volume   818.49
_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
  Ba  Ba0  2  0.36  0.3  0.98  1.0
  Ba  Ba1  2  0.36  0.3  0.52  1.0
  La  La2  2  0.36  0.21  0.63  1.0
  La  La3  2  0.36  0.21  0.87  1.0
  Cu  Cu4  2  0.36  0.86  0.79  1.0
  Cu  Cu5  2  0.36  0.87  0.71  1.0
  Te  Te6  2  0.36  0.15  0.82  1.0
  Te  Te7  2  0.36  0.16  0.68  1.0
  Te  Te8  2  0.36  0.66  0.25  1.0
  Te  Te9  2  0.36  0.66  0.25  1.0
  Te  Te10  2  0.36  0.88  0.07  1.0
  Te  Te11  2  0.36  0.89  0.43  1.0

Ba Ba Ba Ba La La La La Cu Cu Cu Cu Te Te Te Te Te Te Te Te Te Te Te Te
Ba Ba Ba Ba La La La La Cu Cu Cu Cu Te Te Te Te Te Te Te Te Te Te Te Te 0 6 o o o 1 7 o o o 2 4 o o o 3 5 o o o 4 14 o o o 4 17 o o o 5 15 o o o 5 18 o o o 6 12 o o o 6 19 o o o 7 13 o o o 7 16 o o o 8 10 o o o 9 11 o o o 12 19 o o o 13 16 o o o 14 17 o o o 15 18 o o o 20 22 o o o 21 23 o o o 