data_BaLa2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.54
_cell_length_b   6.54
_cell_length_c   3.77
_cell_angle_alpha   103.42
_cell_angle_beta   103.42
_cell_angle_gamma   116.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLa2Si
_chemical_formula_sum   'Ba1 La2 Si1'
_cell_volume   129.48
_cell_formula_units_Z   1
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  0.44  0.0  0.0  1.0
  La  La1  1  0.89  0.22  0.69  1.0
  La  La2  1  0.89  0.78  0.69  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

data_BaLa2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   6.21
_cell_length_c   6.54
_cell_angle_alpha   116.14
_cell_angle_beta   103.42
_cell_angle_gamma   96.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLa2Si
_chemical_formula_sum   'Ba1 La2 Si1'
_cell_volume   129.48
_cell_formula_units_Z   1
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  0.44  1.0
  La  La1  1  0.48  0.78  0.67  1.0
  La  La2  1  0.91  0.22  0.1  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

Ba La La Si