data_Na2HfMn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.56
_cell_length_b   7.56
_cell_length_c   4.15
_cell_angle_alpha   103.82
_cell_angle_beta   103.82
_cell_angle_gamma   23.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2HfMn
_chemical_formula_sum   'Na2 Hf1 Mn1'
_cell_volume   91.01
_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  0.93  0.0  0.29  1.0
  Na  Na3  1  0.87  0.0  0.74  1.0
  Hf  Hf0  1  0.9  0.0  0.01  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0

data_Na2HfMn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.15
_cell_length_c   7.56
_cell_angle_alpha   103.82
_cell_angle_beta   101.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2HfMn
_chemical_formula_sum   'Na2 Hf1 Mn1'
_cell_volume   91.01
_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  0.29  0.93  1.0
  Na  Na1  1  0.0  0.74  0.87  1.0
  Hf  Hf2  1  0.0  0.01  0.9  1.0
  Mn  Mn3  1  0.0  0.0  0.0  1.0

Na Na Hf Mn
Na Na Hf Mn 0 2 o o o 1 3 + o + 1 2 o o + 2 3 + o o 