data_BaLa2Mn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.65
_cell_length_b   3.65
_cell_length_c   10.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLa2Mn
_chemical_formula_sum   'Ba1 La2 Mn1'
_cell_volume   134.58
_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  0.2  1.0
  La  La1  1  0.26  0.0  0.75  1.0
  La  La2  1  0.26  0.0  0.66  1.0
  Mn  Mn3  1  0.0  0.0  0.0  1.0

data_BaLa2Mn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.65
_cell_length_b   3.65
_cell_length_c   10.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLa2Mn
_chemical_formula_sum   'Ba1 La2 Mn1'
_cell_volume   134.58
_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  0.2  1.0
  La  La1  1  0.26  0.0  0.66  1.0
  La  La2  1  0.26  0.0  0.75  1.0
  Mn  Mn3  1  0.0  0.0  0.0  1.0

Ba La La Mn
Ba La La Mn 0 3 o o o 1 2 o o o 