data_BaLa2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.99
_cell_length_b   6.99
_cell_length_c   6.99
_cell_angle_alpha   146.51
_cell_angle_beta   130.0
_cell_angle_gamma   61.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLa2Ag
_chemical_formula_sum   'Ba1 La2 Ag1'
_cell_volume   142.81
_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  Ba1  1  0.0  0.95  0.6  1.0
  La  La2  1  0.0  0.0  0.09  1.0
  La  La3  1  0.01  0.0  0.45  1.0
  Ag  Ag0  1  0.0  0.0  0.87  1.0

data_BaLa2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.03
_cell_length_b   5.91
_cell_length_c   6.99
_cell_angle_alpha   115.0
_cell_angle_beta   106.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLa2Ag
_chemical_formula_sum   'Ba1 La2 Ag1'
_cell_volume   142.81
_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  0.4  0.36  0.36  1.0
  La  La1  1  0.56  0.55  0.56  1.0
  La  La2  1  0.91  0.91  0.91  1.0
  Ag  Ag3  1  0.13  0.13  0.13  1.0

Ba La La Ag
Ba La La Ag 0 2 o + o 0 3 o + o 1 3 o o - 