data_BaLa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.76
_cell_length_b   7.76
_cell_length_c   12.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLa3
_chemical_formula_sum   'Ba4 La12'
_cell_volume   651.72
_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  0.0  0.0  0.25  1.0
  Ba  Ba1  1  0.0  0.0  0.0  1.0
  Ba  Ba2  1  0.88  0.24  0.37  1.0
  Ba  Ba3  1  0.0  0.48  0.12  1.0
  La  La4  1  0.06  0.36  0.25  1.0
  La  La5  1  0.06  0.36  0.0  1.0
  La  La6  1  0.94  0.36  0.25  1.0
  La  La7  1  0.88  0.0  0.25  1.0
  La  La8  1  0.88  0.0  0.0  1.0
  La  La9  1  0.94  0.36  0.0  1.0
  La  La10  1  0.87  0.56  0.37  1.0
  La  La11  1  0.01  0.16  0.12  1.0
  La  La12  1  0.13  0.56  0.37  1.0
  La  La13  1  0.0  0.32  0.37  1.0
  La  La14  1  0.88  0.4  0.12  1.0
  La  La15  1  0.75  0.16  0.12  1.0

data_BaLa3
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.76
_cell_length_b   7.76
_cell_length_c   12.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLa3
_chemical_formula_sum   'Ba4 La12'
_cell_volume   651.72
_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  0.0  0.0  0.0  1.0
  Ba  Ba1  1  0.0  0.0  0.25  1.0
  Ba  Ba2  1  0.0  0.48  0.12  1.0
  Ba  Ba3  1  0.88  0.24  0.37  1.0
  La  La4  1  0.0  0.32  0.37  1.0
  La  La5  1  0.01  0.16  0.12  1.0
  La  La6  1  0.06  0.36  0.0  1.0
  La  La7  1  0.06  0.36  0.25  1.0
  La  La8  1  0.13  0.56  0.37  1.0
  La  La9  1  0.75  0.16  0.12  1.0
  La  La10  1  0.87  0.56  0.37  1.0
  La  La11  1  0.88  0.0  0.0  1.0
  La  La12  1  0.88  0.0  0.25  1.0
  La  La13  1  0.88  0.4  0.12  1.0
  La  La14  1  0.94  0.36  0.0  1.0
  La  La15  1  0.94  0.36  0.25  1.0

Ba Ba Ba Ba La La La La La La La La La La La La