data_NaMn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85
_cell_length_b   5.85
_cell_length_c   5.85
_cell_angle_alpha   152.47
_cell_angle_beta   140.18
_cell_angle_gamma   49.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMn2
_chemical_formula_sum   'Na1 Mn2'
_cell_volume   59.09
_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  0.0  0.0  0.0  1.0
  Mn  Mn0  1  0.0  0.0  0.18  1.0
  Mn  Mn1  1  0.0  0.0  0.47  1.0

data_NaMn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   3.99
_cell_length_c   5.85
_cell_angle_alpha   109.91
_cell_angle_beta   103.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMn2
_chemical_formula_sum   'Na1 Mn2'
_cell_volume   59.09
_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
  Mn  Mn1  1  0.0  0.18  0.18  1.0
  Mn  Mn2  1  0.0  0.47  0.47  1.0

Na Mn Mn
Na Mn Mn 0 1 o o o 1 2 o o o 