data_NaHfMn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.13
_cell_length_b   10.13
_cell_length_c   10.13
_cell_angle_alpha   17.33
_cell_angle_beta   17.33
_cell_angle_gamma   17.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHfMn2
_chemical_formula_sum   'Na1 Hf1 Mn2'
_cell_volume   80.63
_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
  Hf  Hf0  1  0.0  0.0  0.97  1.0
  Mn  Mn1  1  0.0  0.0  0.21  1.0
  Mn  Mn2  1  0.0  0.0  0.73  1.0

data_NaHfMn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.29
_cell_length_b   3.05
_cell_length_c   10.13
_cell_angle_alpha   90.0
_cell_angle_beta   100.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaHfMn2
_chemical_formula_sum   'Na2 Hf2 Mn4'
_cell_volume   161.27
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Hf  Hf1  2  0.0  0.0  0.03  1.0
  Mn  Mn2  2  0.0  0.0  0.27  1.0
  Mn  Mn3  2  0.0  0.0  0.79  1.0

Na Hf Mn Mn