data_NaMnFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   4.63
_cell_angle_alpha   99.51
_cell_angle_beta   99.51
_cell_angle_gamma   32.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMnFe2
_chemical_formula_sum   'Na1 Mn1 Fe2'
_cell_volume   52.32
_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  0.46  0.0  0.14  1.0
  Mn  Mn2  1  0.05  0.0  0.29  1.0
  Fe  Fe0  1  0.08  0.0  0.56  1.0
  Fe  Fe1  1  0.62  0.0  0.42  1.0

data_NaMnFe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.58
_cell_length_b   4.63
_cell_length_c   4.63
_cell_angle_alpha   99.51
_cell_angle_beta   90.0
_cell_angle_gamma   106.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMnFe2
_chemical_formula_sum   'Na1 Mn1 Fe2'
_cell_volume   52.32
_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  0.54  0.86  1.0
  Mn  Mn1  1  0.0  0.95  0.71  1.0
  Fe  Fe2  1  0.0  0.38  0.58  1.0
  Fe  Fe3  1  0.0  0.92  0.44  1.0

Na Mn Fe Fe