data_NaLa2Mn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.62
_cell_length_b   8.18
_cell_length_c   8.18
_cell_angle_alpha   31.71
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLa2Mn
_chemical_formula_sum   'Na1 La2 Mn1'
_cell_volume   127.35
_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
  Na  Na3  1  0.0  0.0  0.0  1.0
  La  La0  1  0.81  0.0  0.5  1.0
  La  La1  1  0.0  0.0  0.87  1.0
  Mn  Mn2  1  0.81  0.0  0.08  1.0

data_NaLa2Mn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.62
_cell_length_b   4.47
_cell_length_c   8.18
_cell_angle_alpha   105.85
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLa2Mn
_chemical_formula_sum   'Na1 La2 Mn1'
_cell_volume   127.35
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  La  La1  1  0.0  0.87  0.87  1.0
  La  La2  1  0.19  0.5  0.5  1.0
  Mn  Mn3  1  0.19  0.08  0.08  1.0

Na La La Mn
Na La La Mn 0 3 - o o 0 2 o o - 1 1 + o o 1 3 o o o 1 2 + o o 