data_Na2LaMn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33
_cell_length_b   6.08
_cell_length_c   4.74
_cell_angle_alpha   90.0
_cell_angle_beta   98.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2LaMn
_chemical_formula_sum   'Na2 La1 Mn1'
_cell_volume   94.99
_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  Na2  1  0.23  0.04  0.63  1.0
  Na  Na3  1  0.44  0.04  0.06  1.0
  La  La0  1  0.33  0.0  0.35  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0

data_Na2LaMn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   4.74
_cell_length_c   6.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   98.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2LaMn
_chemical_formula_sum   'Na2 La1 Mn1'
_cell_volume   94.99
_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  0.56  0.94  0.96  1.0
  Na  Na1  1  0.77  0.37  0.96  1.0
  La  La2  1  0.67  0.65  0.0  1.0
  Mn  Mn3  1  0.0  0.0  0.0  1.0

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