data_NaLi2Mn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.81
_cell_angle_alpha   95.83
_cell_angle_beta   95.83
_cell_angle_gamma   32.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLi2Mn
_chemical_formula_sum   'Na1 Li2 Mn1'
_cell_volume   81.76
_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
  Li  Li0  1  0.91  0.0  0.13  1.0
  Li  Li1  1  0.29  0.0  0.65  1.0
  Mn  Mn2  1  0.6  0.0  0.89  1.0

data_NaLi2Mn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   5.12
_cell_length_c   5.81
_cell_angle_alpha   95.83
_cell_angle_beta   90.0
_cell_angle_gamma   106.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLi2Mn
_chemical_formula_sum   'Na1 Li2 Mn1'
_cell_volume   81.76
_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
  Li  Li1  1  0.0  0.09  0.87  1.0
  Li  Li2  1  0.0  0.71  0.35  1.0
  Mn  Mn3  1  0.0  0.4  0.11  1.0

Na Li Li Mn