data_La2MnAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56
_cell_length_b   3.56
_cell_length_c   7.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2MnAl
_chemical_formula_sum   'La2 Mn1 Al1'
_cell_volume   97.64
_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
  La  La1  1  0.41  0.0  0.17  1.0
  La  La2  1  0.41  0.0  0.57  1.0
  Mn  Mn3  1  0.0  0.0  0.87  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0

data_La2MnAl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   3.56
_cell_length_c   7.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2MnAl
_chemical_formula_sum   'La2 Mn1 Al1'
_cell_volume   97.64
_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
  La  La0  1  0.41  0.0  0.17  1.0
  La  La1  1  0.41  0.0  0.57  1.0
  Mn  Mn2  1  0.0  0.0  0.87  1.0
  Al  Al3  1  0.0  0.0  0.0  1.0

La La Mn Al
La La Mn Al 0 3 o o o 0 1 o o o 1 1 o + o 1 1 + o o 1 3 o o + 1 2 o o o 1 2 + o o 2 3 o o + 